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Research ArticleStudyofVanadiumCarbide StructuresBasedonVe andEv-DegreeTopological Indices
AbdulRauf 1 SabaMaqbool1MuhammadNaeem 1AdnanAslam 2HamidehAram3
and Kraidi Anoh Yannick 4
1Department of Mathematics Air University Multan Campus Multan Pakistan2Department of Natural Sciences and Humanities University of Engineering and Technology Lahore Pakistan (RCET) Pakistan3Department of Mathematics Gareziaeddin Center Khoy Branch Islamic Azad University Khoy Iran4UFR of Mathematics and Informatics University Felix Houphouet Boigny of Cocody Abidjan Cote drsquoIvoire
Correspondence should be addressed to Kraidi Anoh Yannick kayanoh2000yahoofr
Received 13 June 2021 Accepted 7 December 2021 Published 27 December 2021
Academic Editor Muhammad Imran
Copyright copy 2021 Abdul Rauf et al is is an open access article distributed under the Creative Commons Attribution Licensewhich permits unrestricted use distribution and reproduction in any medium provided the original work is properly cited
Vanadium is a biologically active product with significant industrial and biological applications Vanadium is found in a variety ofminerals and fossil fuels the most common of which are sandstones crude oil and coal Topological descriptors are numericalnumbers assigned to the molecular structures and have the ability to predict certain of their physicalchemical properties In thispaper we have studied topological descriptors of vanadium carbide structure based on ev and ve degrees In particular we havecomputed the closed forms of Zagreb Randic geometric-arithmetic and atom-bond connectivity (ABC) indices of vanadiumcarbide structure based on ev and ve degrees is kind of study may be useful for understanding the biological and chemicalbehavior of the structure
1 Introduction
Vertex degree concept has devised many topological in-dices that are applicable in QSPRQSAR studies Topo-logical indices are widely used in theoretical andmathematical chemistry as they are associated with thetopology of a chemical structure along with its otheridentical properties such as boiling points strain energyand stability [1] In chemical graph theory a chemicalgraph is referred as a molecular structure with atoms as itsvertices and chemical bonds as its edges A topologicalindex is a numerical parameter that creates a link betweenthe physical and chemical properties of a molecule [2]Many topological descriptors based on degree have beenintroduced ese topological indices have provided as-sistance in calculating different parametric calculationsrelated to molecular structures to make them under-standable and beneficial A lot of topological descriptorshave been defined and studied so far but Zagreb indices[3] Weiner index [4] and Randic index [5] are the most
studied among all of them To read more about thechemical applicability of topological descriptors see[5ndash12]
Researchers have attempted to study the varying be-havior of transition metal carbides due to their complexstructures Such mineral metals are available in commercialplaces and their salts are broadly utilized in our enterprisesrelated to electrochemistry and material science Amongthese vanadium carbide complexes have shown crystalmorphologies and stoichiometrics and display a greatvariety of superstructures Very recently many attemptshave been done to purify high quality vanadium carbide bypresenting different binary model system such asVC V2C V4C3 V6C5 and V8C7 For more details see[13ndash16]
Let G be a simple connected graph with its edge set andvertex set denoted by E and V respectively e neighbor setN(v) of a vertex v contains those vertices v1 such thatvv1 isin E e degree of vertex v is denoted by dv and is thecardinality of the set N(v) Let N[v] v1 isin V vv1 isin E1113864 1113865
HindawiJournal of ChemistryVolume 2021 Article ID 7189918 12 pageshttpsdoiorg10115520217189918
cup v be the closed neighborhood of v To read more aboutthe basic concepts related to graph see [17]
M Chellali et al [18] first introduced the concept of evdegree of an edge e and ve degree of a vertex v e ev degreeof an edge e is denoted by dev(e) and is defined as the totalnumber of vertices in the closed neighborhoods of the endvertices of an edge e e ve degree of a vertex v is denoted bydve(v) and is the total number of edges that are adjacent withv and the first neighbor of v Ediz [3] first introduced theconcept of ve degree and ev degree Zagreb and Randicindices e mathematical formulas of these indices arepresented in Table 1 ese newly defined indices werecompared with Zagreb Weiner and Randic indices bymodeling some of the physicalchemical properties of octaneisomers ese indices have been observed to provide bettercorrelation than the Randic Weiner and Zagreb indices forpredicting some specific physical and chemical properties ofoctane isomers Recently a lot of work is done in the di-rection of computing newly defined ve degree and ev degree-based indices [19ndash23]
2 Vanadium Carbide
Vanadium carbide belongs to the family of group IV to VItransition metal carbides and shows homogeneity to metalnitrides monocarbides and carbonitrides ey possessunique associations between physio-chemical propertiessuch as high melting points high temperature resistivitystrength and hardness which are associated with goodelectrical and thermal conductivityese rare combinationsof properties make such compounds very interesting for theresearchers ese materials can be used as wear-resistant
hard alloys and as hard coatings for protection purposes dueto their nanochemical properties [24 25]
Vanadium carbide is the hardest inorganic metal-car-bide with the formula VC VC is an incredibly hard re-fractory ceramic with exceptional wear resistance highmodulus of elasticity (400GPa) and good strength retentioneven at high temperatures [26ndash28] VC coatings are used incorrosion prevention cutting tool application machiningdrilling and dyeing Some industrial uses of VC are given in[27 29ndash31] We denote the crystallographic structure ofvanadium carbide by VC[m n] e molecular structure ofvanadium carbide for m 5 n is depicted in Figure 1 estructure of VC[m n] has total number of 3mn + m + n
vertices and 6mn minus m minus n edges Let Vi denote the vertex setcontaining the vertices of VC[m n] of degree i en thevertex set V(VC[m n]) can be partitioned into six sets with|V1| m + n + 2 |V2| 2m + 2n minus 4 |V3| 4m minus 2n + 2|V4| 1 |V5| m + n minus 2 and |V6| mn minus m minus n + 1 LetE(ij) denote the edge set containing the edges of VC[m n]
with end vertices of degree i and degree j e edge set ofVC[m n] can be partitioned based on the degree of endvertices as follows E(14) with 1 edge E(15) with 2 edgesE(16) with m + n minus 1 edges E(24) with 2 edges E(25) with2m + 2n minus 4 edges E(26) with 2m + 2n minus 6 edges E(34) with1 edge E(35) with 3m + 3n minus 8 edges and E(3 6) having6mn minus 9m minus 9n + 13 edges Ineorem 1 we compute the evdegree Randic and ev degree Zagreb index of VC[m n]
3 Main Results
Theorem 1 Let m nge 2 then
Mev
(VC[m n]) 486mn minus 262m minus 262n + 130
Rev
(VC[m n]) 17
radic mn +17
radic +27
radic +28
radic +38
radic minus99
radic1113888 1113889m
+17
radic +27
radic +28
radic +38
radic minus99
radic1113888 1113889n +15
radic +46
radic minus47
radic minus68
radic minus88
radic +13
9
radic1113888 1113889
(1)
Proof To compute the ev degree Zagreb and ev degreeRandic index of VC[m n] we need to compute the ev degreeof the edges in each partition set E(ij) is calculation is
presented in Table 2 Now using the information presentedin Table 2 and the definition of ev degree Zagreb and evdegree Randic index we get
Mev
(VC[m n]) 1113944eisinE(Z)
dev(e)2
(5)2
E(14)
11138681113868111386811138681113868111386811138681113868 +(6)
2E(15)
11138681113868111386811138681113868111386811138681113868 +(7)
2E(16)
11138681113868111386811138681113868111386811138681113868 +(6)
2E(24)
11138681113868111386811138681113868111386811138681113868 +(7)
2E(25)
11138681113868111386811138681113868111386811138681113868
+(8)2
E(26)
11138681113868111386811138681113868111386811138681113868 +(7)
2E(34)
11138681113868111386811138681113868111386811138681113868 +(8)
2E(35)
11138681113868111386811138681113868111386811138681113868 +(9)
2E(36)
11138681113868111386811138681113868111386811138681113868
(5)2(1) +(6)
2(2) +(7)
2(m + n minus l) +(6)
2(2) +(7)
2(2m + 2n minus 4)
2 Journal of Chemistry
+(8)2(2m + 2n minus 6) +(9)
2(1) +(7)
2(3m + 3n minus 8)
+(8)2(6mn minus 9m minus 9n + 13)
486mn minus 262m minus 262n + 130
Rev
(VC[m n]) 1113944eisinE(Z)
dev(e)minus 12
(5)minus 12
E(14)
11138681113868111386811138681113868111386811138681113868 +(6)
minus 12E(15)
11138681113868111386811138681113868111386811138681113868 +(7)
minus 12E(16)
11138681113868111386811138681113868111386811138681113868 +(6)
minus 12E(24)
11138681113868111386811138681113868111386811138681113868 +(7)
minus 12E(25)
11138681113868111386811138681113868111386811138681113868
+(8)minus 12
E(26)
11138681113868111386811138681113868111386811138681113868 +(7)
minus 12E(34)
11138681113868111386811138681113868111386811138681113868 +(8)
minus 12E(35)
11138681113868111386811138681113868111386811138681113868 +(9)
minus 12E(36)
11138681113868111386811138681113868111386811138681113868
Table 1 Mathematical formula of topological indices
Topological indices Notation Mathematical formulaEv degree Randic index Rev(G) 1113936eisinE(G)dev(e)minus (12)
First Zagreb β-index Mβve1 (G) 1113936uvisinE(G)(dve(u) + dve(v))
Ev degree Zagreb index Mev(G) 1113936eisinE(G)dev(e)2
Second Zagreb β-index Mβve2 (G) 1113936uvisinE(G)(dve(u) times dve(v))
Ve degree harmonic index Hve(G) 1113936uvisinE(G)((2)(dve(u) + dve(v)))
Ve degree sum connectivity index χve(G) 1113936uvisinE(G)(dve(u) + dve(v))minus 12
Ve degree geometric arithmetic index GAve(G) 1113936uvisinE(G)(2dve(u) times dve(v)
1113968)(dve(u) + dve(v))
Ve degree atom bond connectivity index ABCve(G) 1113936uvisinE(G)
(dve(u) + dve(v) minus 2)(dve(u) times dve(v))
1113968
n = 5
n = 4
n = 3
n = 2
n = 1
m = 1m = 2m = 3m = 4m = 5
Figure 1 Molecular structure of vanadium carbide for m 5 and n 5
Table 2 Ev-degrees of edges of vanadium carbide
(d(u) d(v)) dev(e) Frequency
E(14) 5 1E(15) 6 2E(16) 7 m + n minus 1E(24) 6 2E(25) 7 2m + 2n minus 4E(26) 8 2m + 2n minus 6E(34) 7 l
E(35) 8 3m + 3n minus 8E(36) 9 6mn minus 9m minus 9n + 13
Journal of Chemistry 3
(5)minus 12
(1) +(6)minus 12
(2) +(7)minus 12
(m + n minus l) +(6)minus 12
(2) +(7)minus 12
(2m + 2n minus 4)
+(8)minus 12
(2m + 2n minus 6) +(9)minus 12
(1) +(7)minus 12
(3m + 3n minus 8)
+(8)minus 12
(6mn minus 9m minus 9n + 13)
17
radic mn +17
radic +27
radic +28
radic +38
radic minus99
radic1113888 1113889m +17
radic +27
radic +28
radic +38
radic minus99
radic1113888 1113889n
+15
radic +46
radic minus47
radic minus68
radic minus88
radic +13
9
radic1113888 1113889 (2)
Theorem 2 Let m nge 3 then
Mβve1 (VC[m n]) 216mn + 76m + 20n + 54
Mβve2 (VC[m n]) 1944mn minus 51m minus 1887n + 1798
ABCve
(VC[m n]) 634324
1113970
1113888 1113889mn +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
+ 227208
1113970
+ 330252
1113970
1113888
+
32288
1113970
+ 833306
1113970
minus 1534324
1113970
1113889m +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
1113888
+ 227208
1113970
+ 330252
1113970
+
32288
1113970
+ 233306
1113970
minus 1534324
1113970
1113889n +
1032
1113970
+ 21455
1113970
1113888
+ 31460
1113970
minus 41884
1113970
+ 21572
1113970
+ 219110
1113970
+ 220121
1113970
minus 1021130
1113970
+ 222117
1113970
+ 223154
1113970
+ 220120
1113970
minus 1024168
1113970 22112
1113970
minus 628121
1113970
+ 225182
1113970
minus 827208
1113970
+ 225176
1113970
+226187
1113970
+ 229238
1113970
minus 1430252
1113970
minus 332288
1113970
minus 1033306
1113970
+
26180
1113970
+ 3734324
1113970
1113889
GAve
(VC[m n]) 12
324
radic
36mn +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
30+4
208
radic
29+6
252
radic
321113888
+2
288
radic
34+16
306
radic
35minus30
324
radic
361113889m +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
301113888
+4
208
radic
29+6
252
radic
32+2
288
radic
34+4
306
radic
35minus30
324
radic
361113889n +
232
radic
12+4
55
radic
161113888
+6
60
radic
16minus8
84
radic
20+4
72
radic
17+4
110
radic
21+4
121
radic
22minus20
130
radic
23+4
117
radic
22+4
154
radic
25
+4
120
radic
22minus20
168
radic
26+2
112
radic
22minus12
121
radic
30+4
182
radic
27minus16
208
radic
29+4
176
radic
27
+4
187
radic
28+4
238
radic
31minus28
252
radic
32minus6
288
radic
34minus20
306
radic
35+2
180
radic
28+74
324
radic
36⎞⎠
Hve
(VC[m n]) 13
mn +1097490593929469607440
m +39532069247643760
n +801297510323950023374300
(3a)
χve(Z) mn +
120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +835
radic minus1536
radic1113888 1113889m +120
radic1113888
+223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +235
radic minus1536
radic 1113889n +112
radic +216
radic +316
radic1113888
minus420
radic +217
radic +221
radic +222
radic minus1023
radic +222
radic +225
radic minus1026
radic +122
radic minus630
radic +227
radic
4 Journal of Chemistry
minus829
radic +227
radic +228
radic +231
radic minus1432
radic minus334
radic minus1035
radic +128
radic +3736
radic 1113889
Rve
(VC[m n]) 6324
radic mn +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic +1288
radic1113888
+8306
radic minus15324
radic 1113889m +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic1113888
+1288
radic +2306
radic minus15324
radic 1113889n +132
radic +255
radic +360
radic minus472
radic +2110
radic +2121
radic1113888
minus484
radic minus10130
radic +2117
radic +2154
radic minus10168
radic +1112
radic +6221
radic +2182
radic minus8208
radic
+2176
radic +2187
radic +2238
radic minus14252
radic minus3288
radic minus10300
radic +1180
radic +37324
radic 1113889 (3b)
Proof To compute the ve degree-based indices we need tofind the edge partition of E(VC[m n]) based on the vedegree of end vertices of each edge is partition is
presented in Table 3 Now using the values from Table 3 andthe definition of ve degree indices we get
Mβve1 (VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v)( 1113857
(12) E11113868111386811138681113868
1113868111386811138681113868 +(16) E21113868111386811138681113868
1113868111386811138681113868 +(16) E31113868111386811138681113868
1113868111386811138681113868 +(20) E41113868111386811138681113868
1113868111386811138681113868 +(17) E51113868111386811138681113868
1113868111386811138681113868 +(21) E61113868111386811138681113868
1113868111386811138681113868
+(22) E71113868111386811138681113868
1113868111386811138681113868 +(23) E81113868111386811138681113868
1113868111386811138681113868 +(22) E91113868111386811138681113868
1113868111386811138681113868 +(25) E101113868111386811138681113868
1113868111386811138681113868 +(22) E111113868111386811138681113868
1113868111386811138681113868 +(26) E121113868111386811138681113868
1113868111386811138681113868 +(22) E131113868111386811138681113868
1113868111386811138681113868
+(30) E141113868111386811138681113868
1113868111386811138681113868 +(27) E151113868111386811138681113868
1113868111386811138681113868 +(29) E161113868111386811138681113868
1113868111386811138681113868 +(27) E171113868111386811138681113868
1113868111386811138681113868 +(28) E181113868111386811138681113868
1113868111386811138681113868
+(31) E191113868111386811138681113868
1113868111386811138681113868 +(32) E201113868111386811138681113868
1113868111386811138681113868 +(34) E211113868111386811138681113868
1113868111386811138681113868 +(35) E221113868111386811138681113868
1113868111386811138681113868
+(28) E231113868111386811138681113868
1113868111386811138681113868 +(36) E241113868111386811138681113868
1113868111386811138681113868
(12)(1) +(16)(2) +(16)(3) +(20)(m + n minus 4) +(17)(2) +(21)(2) +(22)(2)
+(23)(2m + 2n minus 10) +(22)(2) +(25)(2) +(22)(2) +(26)(2m + 2n minus 10)
+(22)(1) +(30)(m + n minus 6) +(27)(2) +(29)(2m + 2n minus 8) +(27)(2) +(28)(2)
+(31)(2) +(32)(3m + 3n minus 14) +(34)(m + n minus 3) +(35)(8m + 2n minus 10)
+(28)(1) +(36)(6mn minus 15m minus 15n + 37)
216mn + 76m + 20n + 54
Mβve2 (VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) times dve(v)( 1113857
(32) E11113868111386811138681113868
1113868111386811138681113868 +(55) E21113868111386811138681113868
1113868111386811138681113868 +(60) E31113868111386811138681113868
1113868111386811138681113868 +(84) E41113868111386811138681113868
1113868111386811138681113868 +(72) E51113868111386811138681113868
1113868111386811138681113868 +(110) E61113868111386811138681113868
1113868111386811138681113868
+(168) E121113868111386811138681113868
1113868111386811138681113868 +(112) E131113868111386811138681113868
1113868111386811138681113868 +(121) E71113868111386811138681113868
1113868111386811138681113868 +(130) E81113868111386811138681113868
1113868111386811138681113868 +(117) E91113868111386811138681113868
1113868111386811138681113868
+(154) E101113868111386811138681113868
1113868111386811138681113868 +(120) E111113868111386811138681113868
1113868111386811138681113868 +(121) E141113868111386811138681113868
1113868111386811138681113868 +(182) E151113868111386811138681113868
1113868111386811138681113868 +(208) E161113868111386811138681113868
1113868111386811138681113868
+(176) E171113868111386811138681113868
1113868111386811138681113868 +(187) E181113868111386811138681113868
1113868111386811138681113868 +(238) E191113868111386811138681113868
1113868111386811138681113868 +(252) E201113868111386811138681113868
1113868111386811138681113868 +(288) E211113868111386811138681113868
1113868111386811138681113868
Journal of Chemistry 5
+(306) E221113868111386811138681113868
1113868111386811138681113868 +(180) E231113868111386811138681113868
1113868111386811138681113868 +(324) E241113868111386811138681113868
1113868111386811138681113868
(32)(1) +(55)(2) +(60)(3) +(84)(m + n minus 4) +(72)(2) +(110)(2) +(121)(2)
+(130)(2m + 2n minus 10) +(117)(2) +(154)(2) +(120)(2) +(168)(2m + 2n minus 10)
+(112)(1) +(121)(m + n minus 6) +(182)(2) +(208)(2m + 2n minus 8) +(176)(2)
+(187)(2) +(238)(2) +(252)(3m + 3n minus 14) +(288)(m + n minus 3)
+(306)(8m + 2n minus 10) +(180)(1) +(324)(6mn minus 15m minus 15n + 37)
1944mn minus 51m minus 1887n + 1798 (4)
ABCve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v) minus 2
dve(u) times dve(v)( 1113857
1113971
1032
1113970
1113888 1113889 E11113868111386811138681113868
1113868111386811138681113868 +
1455
1113970
1113888 1113889 E21113868111386811138681113868
1113868111386811138681113868 +
1460
1113970
1113888 1113889 E31113868111386811138681113868
1113868111386811138681113868 +
1884
1113970
1113888 1113889 E41113868111386811138681113868
1113868111386811138681113868 +
21130
1113970
1113888 1113889 E81113868111386811138681113868
1113868111386811138681113868
+
1572
1113970
1113888 1113889 E51113868111386811138681113868
1113868111386811138681113868 +
19110
1113970
1113888 1113889 E61113868111386811138681113868
1113868111386811138681113868 +
20121
1113970
1113888 1113889 E71113868111386811138681113868
1113868111386811138681113868 +
22117
1113970
1113888 1113889 E91113868111386811138681113868
1113868111386811138681113868
+
23154
1113970
1113888 1113889 E101113868111386811138681113868
1113868111386811138681113868 +
20120
1113970
1113888 1113889 E111113868111386811138681113868
1113868111386811138681113868 +
24168
1113970
1113888 1113889 E121113868111386811138681113868
1113868111386811138681113868 +
22112
1113970
1113888 1113889 E131113868111386811138681113868
1113868111386811138681113868
+
28121
1113970
1113888 1113889 E141113868111386811138681113868
1113868111386811138681113868 +
25182
1113970
1113888 1113889 E151113868111386811138681113868
1113868111386811138681113868 +
27208
1113970
1113888 1113889 E161113868111386811138681113868
1113868111386811138681113868 +
25176
1113970
1113888 1113889 E171113868111386811138681113868
1113868111386811138681113868
+
26187
1113970
1113888 1113889 E181113868111386811138681113868
1113868111386811138681113868 +
29238
1113970
1113888 1113889 E191113868111386811138681113868
1113868111386811138681113868 +
30252
1113970
1113888 1113889 E201113868111386811138681113868
1113868111386811138681113868 +
32288
1113970
1113888 1113889 E211113868111386811138681113868
1113868111386811138681113868
+
33306
1113970
1113888 1113889 E221113868111386811138681113868
1113868111386811138681113868 +
26180
1113970
1113888 1113889 E231113868111386811138681113868
1113868111386811138681113868 +
34324
1113970
1113888 1113889 E241113868111386811138681113868
1113868111386811138681113868
634324
1113970
1113888 1113889mn +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
+ 227208
1113970
+ 330252
1113970
1113888
Table 3 Edge Partition of vanadium carbide
Edge (dve(u) dve(v)) Frequency
E1 (4 8) 1E2 (5 11) 2E3 (6 10) 3E4 (6 14) m + n minus 4E5 (9 8) 2E6 (10 11) 2E7 (11 11) 2E8 (10 13) 2m + 2n minus 10E9 (9 13) 2E10 (11 14) 2E11 (12 10) 2E12 (12 14) 2m + 2n minus 10E13 (8 14) 1E14 (17 13) m + n minus 6E15 (14 13) 2E16 (16 13) 2m + 2n minus 8E17 (16 11) 2E18 (17 11) 2E19 (17 14) 2E20 (18 14) 3m + 3n minus 14E21 (16 18) m + n minus 3E22 (17 18) 2m + 2n minus 10E23 (18 10) 1E24 (18 18) 6mn minus 15m minus 15n + 37
6 Journal of Chemistry
+
32288
1113970
+ 833306
1113970
minus 1534324
1113970
1113889m +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
1113888
+ 227208
1113970
+ 330252
1113970
+
32288
1113970
+ 233306
1113970
minus 1534324
1113970
1113889n +
1032
1113970
+ 21455
1113970
1113888
+ 31460
1113970
minus 41884
1113970
+ 21572
1113970
+ 219110
1113970
+ 220121
1113970
minus 1021130
1113970
+ 222117
1113970
+ 223154
1113970
+ 220120
1113970
minus 1024168
1113970
+
22112
1113970
minus 628121
1113970
+ 225182
1113970
minus 827208
1113970
+ 225176
1113970
+ 226187
1113970
+ 229238
1113970
minus 1430252
1113970
minus 332288
1113970
minus 1033306
1113970
+
26180
1113970
+ 3734324
1113970
1113889 (5a)
GAve(VC[m n]) 1113944
uvisinE(VC[mn])
2dve(u) times dve(v)
1113968
dve(u) + dve(v)( 1113857
2
32
radic
121113888 1113889 E1
11138681113868111386811138681113868111386811138681113868 +
255
radic
161113888 1113889 E2
11138681113868111386811138681113868111386811138681113868 +
260
radic
161113888 1113889 E3
11138681113868111386811138681113868111386811138681113868 +
284
radic
201113888 1113889 E4
11138681113868111386811138681113868111386811138681113868 +
272
radic
171113888 1113889 E5
11138681113868111386811138681113868111386811138681113868
+2
110
radic
211113888 1113889 E6
11138681113868111386811138681113868111386811138681113868 +
2121
radic
221113888 1113889 E7
11138681113868111386811138681113868111386811138681113868 +
2130
radic
231113888 1113889 E8
11138681113868111386811138681113868111386811138681113868 +
2117
radic
221113888 1113889 E9
11138681113868111386811138681113868111386811138681113868
+2
154
radic
251113888 1113889 E10
11138681113868111386811138681113868111386811138681113868 +
2120
radic
221113888 1113889 E11
11138681113868111386811138681113868111386811138681113868 +
2168
radic
261113888 1113889 E12
11138681113868111386811138681113868111386811138681113868 +
2112
radic
221113888 1113889 E13
11138681113868111386811138681113868111386811138681113868
+2
121
radic
301113888 1113889 E14
11138681113868111386811138681113868111386811138681113868 +
2182
radic
271113888 1113889 E15
11138681113868111386811138681113868111386811138681113868 +
2208
radic
291113888 1113889 E16
11138681113868111386811138681113868111386811138681113868 +
2176
radic
271113888 1113889 E17
11138681113868111386811138681113868111386811138681113868
+2
187
radic
281113888 1113889 E18
11138681113868111386811138681113868111386811138681113868 +
2238
radic
311113888 1113889 E19
11138681113868111386811138681113868111386811138681113868 +
2252
radic
321113888 1113889 E20
11138681113868111386811138681113868111386811138681113868 +
2288
radic
341113888 1113889 E21
11138681113868111386811138681113868111386811138681113868
+2
306
radic
351113888 1113889 E22
11138681113868111386811138681113868111386811138681113868 +
2180
radic
281113888 1113889 E23
11138681113868111386811138681113868111386811138681113868 +
2324
radic
361113888 1113889 E24
11138681113868111386811138681113868111386811138681113868
12
324
radic
36mn +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
30+4
208
radic
29+6
252
radic
321113888
+2
288
radic
34+16
306
radic
35minus30
324
radic
361113889m +
284
radic
201113888 +
4130
radic
23+4
168
radic
26+2
121
radic
30
+4
208
radic
29+6
252
radic
32+2
288
radic
34+4
306
radic
35minus30
324
radic
361113889n +
232
radic
12+4
55
radic
161113888
+6
60
radic
16minus8
84
radic
20+4
72
radic
17+4
110
radic
21+4
121
radic
22minus20
130
radic
23+4
117
radic
22+4
154
radic
25
+4
120
radic
22minus20
168
radic
26+2
112
radic
22minus12
121
radic
30+4
182
radic
27minus16
208
radic
29+4
176
radic
27
+4
187
radic
28+4
238
radic
31minus28
252
radic
32minus6
288
radic
34minus20
306
radic
35+2
180
radic
28+74
324
radic
361113889
(5b)
Hve
(VC[m n]) 1113944uvisinE(VC[mn])
2dve(u) + dve(v)
212
1113874 1113875 E11113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E21113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E31113868111386811138681113868
1113868111386811138681113868 +220
1113874 1113875 E41113868111386811138681113868
1113868111386811138681113868 +217
1113874 1113875 E51113868111386811138681113868
1113868111386811138681113868 +221
1113874 1113875 E61113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E71113868111386811138681113868
1113868111386811138681113868 +223
1113874 1113875 E81113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E91113868111386811138681113868
1113868111386811138681113868 +225
1113874 1113875 E101113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E111113868111386811138681113868
1113868111386811138681113868 +226
1113874 1113875 E121113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E131113868111386811138681113868
1113868111386811138681113868 +230
1113874 1113875 E141113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E151113868111386811138681113868
1113868111386811138681113868 +229
1113874 1113875 E161113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E171113868111386811138681113868
1113868111386811138681113868
Journal of Chemistry 7
+228
1113874 1113875 E181113868111386811138681113868
1113868111386811138681113868 +231
1113874 1113875 E191113868111386811138681113868
1113868111386811138681113868 +232
1113874 1113875 E201113868111386811138681113868
1113868111386811138681113868 +234
1113874 1113875 E211113868111386811138681113868
1113868111386811138681113868 +235
1113874 1113875 E221113868111386811138681113868
1113868111386811138681113868
+228
1113874 1113875 E231113868111386811138681113868
1113868111386811138681113868 +236
1113874 1113875 E241113868111386811138681113868
1113868111386811138681113868
13
mn +1097490593929469607440
m +39532069247643760
n +801297510323950023374300
(6a)
χve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v)( 1113857minus 12
(12)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(20)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(17)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(21)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(23)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E91113868111386811138681113868
1113868111386811138681113868 +(25)minus 12
E101113868111386811138681113868
1113868111386811138681113868
+(22)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(26)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E131113868111386811138681113868
1113868111386811138681113868 +(30)minus 12
E141113868111386811138681113868
1113868111386811138681113868
+(27)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(29)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(27)minus 12
E171113868111386811138681113868
1113868111386811138681113868 +(28)minus 12
E181113868111386811138681113868
1113868111386811138681113868
+(31)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(32)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(34)minus 12
E211113868111386811138681113868
1113868111386811138681113868 +(35)minus 12
E221113868111386811138681113868
1113868111386811138681113868
+(28)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(36)minus 12
E241113868111386811138681113868
1113868111386811138681113868
mn +120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +835
radic minus1536
radic1113888 1113889m
+120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +235
radic minus1536
radic1113888 1113889n
+112
radic +216
radic +316
radic minus420
radic +217
radic +221
radic +222
radic minus1023
radic +222
radic +225
radic1113888
minus1026
radic +122
radic minus630
radic +227
radic minus829
radic +227
radic +228
radic +231
radic minus1432
radic minus334
radic
minus1035
radic +128
radic +3736
radic 1113889
(6b)
Rve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) times dve(v)( 1113857minus 12
(32)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(55)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(60)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(84)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(72)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(110)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(121)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(130)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(117)minus 12
E91113868111386811138681113868
1113868111386811138681113868
+(154)minus 12
E101113868111386811138681113868
1113868111386811138681113868 +(120)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(168)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(112)minus 12
E131113868111386811138681113868
1113868111386811138681113868
+(121)minus 12
E141113868111386811138681113868
1113868111386811138681113868 +(182)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(208)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(176)minus 12
E171113868111386811138681113868
1113868111386811138681113868
+(187)minus 12
E181113868111386811138681113868
1113868111386811138681113868 +(238)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(252)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(288)minus 12
E211113868111386811138681113868
1113868111386811138681113868
+(306)minus 12
E221113868111386811138681113868
1113868111386811138681113868 +(180)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(324)minus 12
E241113868111386811138681113868
1113868111386811138681113868
6324
radic mn +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic +1288
radic1113888
+8306
radic minus15324
radic 1113889m +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic1113888
+1288
radic +2306
radic minus15324
radic 1113889n +132
radic +255
radic +360
radic minus472
radic +2110
radic1113888
+2121
radic minus484
radic minus10130
radic +2117
radic +2154
radic minus10168
radic +1112
radic +6221
radic
+2182
radic minus8208
radic +2176
radic +2187
radic +2238
radic minus14252
radic minus3288
radic minus10300
radic
+1180
radic +37324
radic 1113889
(7)
8 Journal of Chemistry
4 Numerical Results and Discussion
Topological indices are used as vital tools for the analysisof chemicals given the essential topology of chemicalstructures Zagreb-type indices are used to calculate thetotal πminus electronic energy of molecules [32] e Randichindex is commonly used to determine the chemicalsimilarity of molecular compounds as well as to calculate
the boiling point and Kovaz constants of molecules [33]e atom-bond connectivity index (ABC) provides a verygood correlation for calculating strain energies as well asfor the stability of linear and branched chemical structures[34] It can be seen from Table 4 and 5 and Figures 2ndash6 ofindices an increase in the value of m and n raises thevalues of topological descriptors for vanadium carbidestructure
Table 4 Numerical results of indices for vanadium carbide
[m n] Mev(H) Rev(H) Mαve1 (H) M
βve1 (H) M
βve2 (H)
[1 1] 92 0133 2 1324 2110 1804[2 2] 1026 1070 4 2732 2854 5698[3 3] 2932 2763 6 4788 4030 13 480[4 4] 5810 5212 6 7492 5638 25150[5 5] 9660 8417 7 10 844 7678 40 708[6 6] 14 482 12378 6 14 844 10150 60154[7 7] 20 276 17095 4 19 492 13 054 83 488[8 8] 27 042 22568 2 24 788 16 390 110 710[9 9] 34 780 28796 9 30 732 20158 141 820[10 10] 43 490 35781 6 37 324 24 358 176 818
Table 5 Numerical results of indices for vanadium carbide
[m n] ABCve(H) GAve(H) Hve(H) χve(H) Rve(H)
[1 1] 4707 4 10857 0 1708 8 1855 0 1031 9[2 2] 13289 6 32034 6 3240 9 6122 7 2722 3[3 3] 25759 0 65212 2 5439 6 12390 3 5079 3[4 4] 42115 7 110389 8 8305 0 20657 9 8103 0[5 5] 62359 7 167567 4 11837 0 30925 5 11793 3[6 6] 86491 0 236745 0 16035 7 43193 2 16150 3[7 7] 114509 6 317922 6 20901 1 57460 8 21174 0[8 8] 146415 5 411100 2 26433 2 73728 4 26864 3[9 9] 182208 7 516277 9 32631 9 919961 33221 3[10 10] 221889 3 633455 5 39497 3 112263 7 40245 0
14000
12000
10000
8000
6000
4000
2000
Mev
1 2 3 4 5 6 5 4 3 2 1
mn
(a)
20
15
10
5
Rev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(b)
Figure 2 3D plot of (a) Mev(VC[m n]) (b) Rev(VC[m n])
Journal of Chemistry 9
16000
14000
12000
10000
80001
6000
4000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(a)
100000
80000
60000
40000
20000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1n m
2
(b)
Figure 3 3D plot of (a) Mβve1 (VC[m n]) (b) Mβve
2 (VC[m n])
200
150
100
50
ABCv
e
1 2 3 4 5 6 7 8 910 9 8 7 6 5 4 3 2 1
mn
(a)
600
500
400
300
200
100
GAve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 4 3D plot of (a) ABCve(VC[m n]) (b) GAve(VC[m n])
353025201510
5
Hve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(a)
100
80
60
40
20
xve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 5 3D plot of (a) Hve(VC[m n]) (b) χve(VC[m n])
10 Journal of Chemistry
5 Conclusion
Graphs invariants are calculated by some well-known to-pological indices which are important tools for resemblingand forecasting the properties of chemical compounds inQSPRs and the QSARs e TI is a numerical measure thatrepresents the biological physical and chemical propertiesof molecules such as boiling melting and flickering pointmoisture and forming heat In this paper we have com-puted the ev degree and ve degree-based topological indiceswith graphical representations for the molecular structure ofvanadium carbide for a better understanding of pharma-ceutical physical chemical and biological properties
Data Availability
No data were used to support this study
Disclosure
is research was carried out as a part of employment of theauthors
Conflicts of Interest
e authors hereby declare that there are no conflicts ofinterest regarding the publication of this paper
References
[1] B Sahin and S Ediz ldquoOn ev-degree and ve-degree topo-logical indicesrdquo Iranian Journal of Mathematical Chemistryvol 9 no 4 pp 263ndash277 2018
[2] S Hosamani D Perigidad S Jamagoud Y Maled andS Gavade ldquoQSPR analysis of certain degree based topologicalindicesrdquo Journal of Statistics Applications amp Probability vol 6no 2 pp 361ndash371 2017
[3] S Ediz ldquoPredicting some physicochemical properties of oc-tane isomers a topological approach using ev-degree and ve-degree Zagreb indicesrdquo 2017 httpsuiadsabsharvardedulink_gateway2017arXiv170102859EarXiv170102859
[4] H Wiener ldquoStructural determination of paraffin boilingpointsrdquo Journal of the American Chemical Society vol 69no 1 pp 17ndash20 1947
[5] M Randic ldquoCharacterization of molecular branchingrdquoJournal of the American Chemical Society vol 97 no 23pp 6609ndash6615 1975
[6] I Gutman and N Trinajstic ldquoGraph theory and molecularorbitals Total φ-electron energy of alternant hydrocarbonsrdquoChemical Physics Letters vol 17 no 4 pp 535ndash538 1972
[7] S Ediz ldquoPredicting some physicochemical properties ofoctane isomers a topological approach using ev-degree andve-degree Zagreb indicesrdquo 2017
[8] Y-X Li A Rauf M Naeem M Ahsan Binyamin andA Aslam ldquordquoValency-based topological properties of linearhexagonal chain and hammer-like benzenoidrdquo Complexityp 2021 2021
[9] S-B Chen A Rauf M Ishtiaq M Naeem and A Aslam ldquoOnve-degree- and ev-degree-based topological properties ofcrystallographic structure of cuprite Cu2Ordquo Open Chemistryvol 19 no 1 pp 576ndash585 2021
[10] S Shirakol M Kalyanshetti M Sunilkumar and HosamanldquoQSPR analysis of certain distance based topological indicesrdquoApplied Mathematics and Nonlinear Sciences vol 4 no 2pp 371ndash386 2019
[11] S J Patel D Ng and M S Mannan ldquoQSPR flash pointprediction of solvents using topological indices for applicationin computer aided molecular designrdquo Industrial amp Engi-neering Chemistry Research vol 48 no 15 pp 7378ndash73872009
[12] J C Dearden ldquoe use of topological indices in QSAR andQSPR modelingrdquo in Advances in QSAR Modeling Challengesand Advances in Computational Chemistry and Physicspp 57ndash88 Springer Cham Switzerland 2017
[13] W Xing F Meng and R Yu ldquoA new type of vanadiumcarbide V5C3 and its hardening by tuning Fermi energyrdquoScientific Reports vol 6 no 1 pp 21794ndash21799 2016
[14] A VahidMohammadi A Hadjikhani S Shahbazmohamadiand M Beidaghi ldquoTwo-dimensional vanadium carbide(MXene) as a high-capacity cathode material for rechargeablealuminum batteriesrdquo ACS Nano vol 11 no 11pp 11135ndash11144 2017
[15] Y Guan S Jiang Y Cong et al ldquoA hydrofluoric acid-freesynthesis of 2D vanadium carbide (V2C) MXene for
70
60
50
40
30
20
10
Rve
2 4 6 8 10 12 14 12 10 8 6 4 2
mn
Figure 6 Graphical representation of Rve(VC[m n])
Journal of Chemistry 11
supercapacitor electrodesrdquo 2D Materials vol 7 no 2 ArticleID 025010 2020
[16] D Huang Y Xie D Lu et al ldquoDemonstration of a white laserwith V2C MXene-based quantum dotsrdquo Advanced Materialsvol 31 pp 1901117ndash24 2019
[17] D B West Introduction to Graph eory Vol 2 Prentice-Hall Upper Saddle River NJ USA 2001
[18] M Chellali T W Haynes S T Hedetniemi and T M LewisldquoOn ve-degrees and ev-degrees in graphsrdquo Discrete Mathe-matics vol 340 no 2 pp 31ndash38 2017
[19] A N A Koam A Ahmad and A A Ahamdini ldquoCompu-tation of vertex-edge degree based topological descriptors forhex-derived networksrdquo IEEE Access 2021
[20] E A Refaee and A Ahmad ldquoA study of hexagon star networkwith vertex-edge-based topological descriptorsrdquo Complexityvol 2021 2021
[21] A Ahmad ldquoComparative study of ve-degree and ev-degreetopological descriptors for benzene ring embedded in P-Type-Surface in 2D networkrdquo Polycyclic Aromatic Compoundspp 1ndash10 2020
[22] J Zhang M K Siddiqui A Rauf and M Ishtiaq ldquoOn ve-degree and ev-degree based topological properties of singlewalled titanium dioxide nanotuberdquo Journal of Cluster Sciencepp 1ndash12 2020
[23] B Horoldagva K Ch Das and T-A Selenge ldquoOn ve-Degreeand ev-Degree of Graphsrdquo Discrete Optimization vol 31pp 1ndash7 2019
[24] Te-H Fang S-R Jian and D-S Chuu ldquoNanomechanicalproperties of TiC TiN and TiCN thin films using scanningprobe microscopy and nanoindentationrdquo Applied SurfaceScience vol 228 no 1ndash4 pp 365ndash372 2004
[25] H G Prengel W R Pfouts and A T Santhanam ldquoState ofthe art in hard coatings for carbide cutting toolsrdquo Surface andCoatings Technology vol 102 no 3 pp 183ndash190 1998
[26] K H Lo F T Cheng C T Kwok and H Chung ManldquoMprovement of cavitation erosion resistance of AISI 316stainless steel by laser surface alloying using fineWC powderrdquoSurface and Coatings Technology vol 165 no 3 pp 258ndash2672003
[27] B Chicco W E Borbidge and E Summerville ldquoExperi-mental study of vanadium carbide and carbonitride coatingsrdquoMaterials Science and Engineering A vol 266 no 1-2pp 62ndash72 1999
[28] S A Hassanzadeh-Tabrizi ldquoHoma Hosseini Badr and SaraAlizadeh rdquoIn situ synthesis of vanadium carbide-coppernanocomposite by a modified mechanochemical combustionmethodrdquo Ceramics International vol 42 no 8pp 9371ndash9374 2016
[29] D Ferro J V Rau A Generosi V Rossi Albertini A Latiniand S M Barinov ldquoElectron beam deposited VC and NbCthin films on titanium hardness and energy-dispersive X-raydiffraction studyrdquo Surface and Coatings Technology vol 202no 10 pp 2162ndash2168 2008
[30] L BWang Z F Chen Y Zhang andW PWu InternationalJournal of Refractory Metals and Hard Materials p 20042009
[31] A Aouni P Weisbecker T Huu Loi and E Bauer-GrosseldquoSearch for new materials in sputtered V1-xCx filmsrdquo inSolid Films vol 469 pp 315ndash321 2004
[32] I Gutman B Ruscic N Trinajstic and C F Wilcox JrldquoGraph theory and molecular orbitals XII Acyclic polyenesrdquoe Journal of Chemical Physics vol 62 no 9 pp 3399ndash34051975
[33] N Nikolova and J Jaworska ldquoApproaches to measurechemical similarityndasha reviewrdquo QSAR amp Combinatorial Sci-ence vol 22 no 9-10 pp 1006ndash1026 2003
[34] E Estrada L Torres L Rodriguez and I Gutman ldquoAn atom-bond connectivity index modelling the enthalpy of formationof alkanesrdquo 1998
12 Journal of Chemistry
cup v be the closed neighborhood of v To read more aboutthe basic concepts related to graph see [17]
M Chellali et al [18] first introduced the concept of evdegree of an edge e and ve degree of a vertex v e ev degreeof an edge e is denoted by dev(e) and is defined as the totalnumber of vertices in the closed neighborhoods of the endvertices of an edge e e ve degree of a vertex v is denoted bydve(v) and is the total number of edges that are adjacent withv and the first neighbor of v Ediz [3] first introduced theconcept of ve degree and ev degree Zagreb and Randicindices e mathematical formulas of these indices arepresented in Table 1 ese newly defined indices werecompared with Zagreb Weiner and Randic indices bymodeling some of the physicalchemical properties of octaneisomers ese indices have been observed to provide bettercorrelation than the Randic Weiner and Zagreb indices forpredicting some specific physical and chemical properties ofoctane isomers Recently a lot of work is done in the di-rection of computing newly defined ve degree and ev degree-based indices [19ndash23]
2 Vanadium Carbide
Vanadium carbide belongs to the family of group IV to VItransition metal carbides and shows homogeneity to metalnitrides monocarbides and carbonitrides ey possessunique associations between physio-chemical propertiessuch as high melting points high temperature resistivitystrength and hardness which are associated with goodelectrical and thermal conductivityese rare combinationsof properties make such compounds very interesting for theresearchers ese materials can be used as wear-resistant
hard alloys and as hard coatings for protection purposes dueto their nanochemical properties [24 25]
Vanadium carbide is the hardest inorganic metal-car-bide with the formula VC VC is an incredibly hard re-fractory ceramic with exceptional wear resistance highmodulus of elasticity (400GPa) and good strength retentioneven at high temperatures [26ndash28] VC coatings are used incorrosion prevention cutting tool application machiningdrilling and dyeing Some industrial uses of VC are given in[27 29ndash31] We denote the crystallographic structure ofvanadium carbide by VC[m n] e molecular structure ofvanadium carbide for m 5 n is depicted in Figure 1 estructure of VC[m n] has total number of 3mn + m + n
vertices and 6mn minus m minus n edges Let Vi denote the vertex setcontaining the vertices of VC[m n] of degree i en thevertex set V(VC[m n]) can be partitioned into six sets with|V1| m + n + 2 |V2| 2m + 2n minus 4 |V3| 4m minus 2n + 2|V4| 1 |V5| m + n minus 2 and |V6| mn minus m minus n + 1 LetE(ij) denote the edge set containing the edges of VC[m n]
with end vertices of degree i and degree j e edge set ofVC[m n] can be partitioned based on the degree of endvertices as follows E(14) with 1 edge E(15) with 2 edgesE(16) with m + n minus 1 edges E(24) with 2 edges E(25) with2m + 2n minus 4 edges E(26) with 2m + 2n minus 6 edges E(34) with1 edge E(35) with 3m + 3n minus 8 edges and E(3 6) having6mn minus 9m minus 9n + 13 edges Ineorem 1 we compute the evdegree Randic and ev degree Zagreb index of VC[m n]
3 Main Results
Theorem 1 Let m nge 2 then
Mev
(VC[m n]) 486mn minus 262m minus 262n + 130
Rev
(VC[m n]) 17
radic mn +17
radic +27
radic +28
radic +38
radic minus99
radic1113888 1113889m
+17
radic +27
radic +28
radic +38
radic minus99
radic1113888 1113889n +15
radic +46
radic minus47
radic minus68
radic minus88
radic +13
9
radic1113888 1113889
(1)
Proof To compute the ev degree Zagreb and ev degreeRandic index of VC[m n] we need to compute the ev degreeof the edges in each partition set E(ij) is calculation is
presented in Table 2 Now using the information presentedin Table 2 and the definition of ev degree Zagreb and evdegree Randic index we get
Mev
(VC[m n]) 1113944eisinE(Z)
dev(e)2
(5)2
E(14)
11138681113868111386811138681113868111386811138681113868 +(6)
2E(15)
11138681113868111386811138681113868111386811138681113868 +(7)
2E(16)
11138681113868111386811138681113868111386811138681113868 +(6)
2E(24)
11138681113868111386811138681113868111386811138681113868 +(7)
2E(25)
11138681113868111386811138681113868111386811138681113868
+(8)2
E(26)
11138681113868111386811138681113868111386811138681113868 +(7)
2E(34)
11138681113868111386811138681113868111386811138681113868 +(8)
2E(35)
11138681113868111386811138681113868111386811138681113868 +(9)
2E(36)
11138681113868111386811138681113868111386811138681113868
(5)2(1) +(6)
2(2) +(7)
2(m + n minus l) +(6)
2(2) +(7)
2(2m + 2n minus 4)
2 Journal of Chemistry
+(8)2(2m + 2n minus 6) +(9)
2(1) +(7)
2(3m + 3n minus 8)
+(8)2(6mn minus 9m minus 9n + 13)
486mn minus 262m minus 262n + 130
Rev
(VC[m n]) 1113944eisinE(Z)
dev(e)minus 12
(5)minus 12
E(14)
11138681113868111386811138681113868111386811138681113868 +(6)
minus 12E(15)
11138681113868111386811138681113868111386811138681113868 +(7)
minus 12E(16)
11138681113868111386811138681113868111386811138681113868 +(6)
minus 12E(24)
11138681113868111386811138681113868111386811138681113868 +(7)
minus 12E(25)
11138681113868111386811138681113868111386811138681113868
+(8)minus 12
E(26)
11138681113868111386811138681113868111386811138681113868 +(7)
minus 12E(34)
11138681113868111386811138681113868111386811138681113868 +(8)
minus 12E(35)
11138681113868111386811138681113868111386811138681113868 +(9)
minus 12E(36)
11138681113868111386811138681113868111386811138681113868
Table 1 Mathematical formula of topological indices
Topological indices Notation Mathematical formulaEv degree Randic index Rev(G) 1113936eisinE(G)dev(e)minus (12)
First Zagreb β-index Mβve1 (G) 1113936uvisinE(G)(dve(u) + dve(v))
Ev degree Zagreb index Mev(G) 1113936eisinE(G)dev(e)2
Second Zagreb β-index Mβve2 (G) 1113936uvisinE(G)(dve(u) times dve(v))
Ve degree harmonic index Hve(G) 1113936uvisinE(G)((2)(dve(u) + dve(v)))
Ve degree sum connectivity index χve(G) 1113936uvisinE(G)(dve(u) + dve(v))minus 12
Ve degree geometric arithmetic index GAve(G) 1113936uvisinE(G)(2dve(u) times dve(v)
1113968)(dve(u) + dve(v))
Ve degree atom bond connectivity index ABCve(G) 1113936uvisinE(G)
(dve(u) + dve(v) minus 2)(dve(u) times dve(v))
1113968
n = 5
n = 4
n = 3
n = 2
n = 1
m = 1m = 2m = 3m = 4m = 5
Figure 1 Molecular structure of vanadium carbide for m 5 and n 5
Table 2 Ev-degrees of edges of vanadium carbide
(d(u) d(v)) dev(e) Frequency
E(14) 5 1E(15) 6 2E(16) 7 m + n minus 1E(24) 6 2E(25) 7 2m + 2n minus 4E(26) 8 2m + 2n minus 6E(34) 7 l
E(35) 8 3m + 3n minus 8E(36) 9 6mn minus 9m minus 9n + 13
Journal of Chemistry 3
(5)minus 12
(1) +(6)minus 12
(2) +(7)minus 12
(m + n minus l) +(6)minus 12
(2) +(7)minus 12
(2m + 2n minus 4)
+(8)minus 12
(2m + 2n minus 6) +(9)minus 12
(1) +(7)minus 12
(3m + 3n minus 8)
+(8)minus 12
(6mn minus 9m minus 9n + 13)
17
radic mn +17
radic +27
radic +28
radic +38
radic minus99
radic1113888 1113889m +17
radic +27
radic +28
radic +38
radic minus99
radic1113888 1113889n
+15
radic +46
radic minus47
radic minus68
radic minus88
radic +13
9
radic1113888 1113889 (2)
Theorem 2 Let m nge 3 then
Mβve1 (VC[m n]) 216mn + 76m + 20n + 54
Mβve2 (VC[m n]) 1944mn minus 51m minus 1887n + 1798
ABCve
(VC[m n]) 634324
1113970
1113888 1113889mn +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
+ 227208
1113970
+ 330252
1113970
1113888
+
32288
1113970
+ 833306
1113970
minus 1534324
1113970
1113889m +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
1113888
+ 227208
1113970
+ 330252
1113970
+
32288
1113970
+ 233306
1113970
minus 1534324
1113970
1113889n +
1032
1113970
+ 21455
1113970
1113888
+ 31460
1113970
minus 41884
1113970
+ 21572
1113970
+ 219110
1113970
+ 220121
1113970
minus 1021130
1113970
+ 222117
1113970
+ 223154
1113970
+ 220120
1113970
minus 1024168
1113970 22112
1113970
minus 628121
1113970
+ 225182
1113970
minus 827208
1113970
+ 225176
1113970
+226187
1113970
+ 229238
1113970
minus 1430252
1113970
minus 332288
1113970
minus 1033306
1113970
+
26180
1113970
+ 3734324
1113970
1113889
GAve
(VC[m n]) 12
324
radic
36mn +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
30+4
208
radic
29+6
252
radic
321113888
+2
288
radic
34+16
306
radic
35minus30
324
radic
361113889m +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
301113888
+4
208
radic
29+6
252
radic
32+2
288
radic
34+4
306
radic
35minus30
324
radic
361113889n +
232
radic
12+4
55
radic
161113888
+6
60
radic
16minus8
84
radic
20+4
72
radic
17+4
110
radic
21+4
121
radic
22minus20
130
radic
23+4
117
radic
22+4
154
radic
25
+4
120
radic
22minus20
168
radic
26+2
112
radic
22minus12
121
radic
30+4
182
radic
27minus16
208
radic
29+4
176
radic
27
+4
187
radic
28+4
238
radic
31minus28
252
radic
32minus6
288
radic
34minus20
306
radic
35+2
180
radic
28+74
324
radic
36⎞⎠
Hve
(VC[m n]) 13
mn +1097490593929469607440
m +39532069247643760
n +801297510323950023374300
(3a)
χve(Z) mn +
120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +835
radic minus1536
radic1113888 1113889m +120
radic1113888
+223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +235
radic minus1536
radic 1113889n +112
radic +216
radic +316
radic1113888
minus420
radic +217
radic +221
radic +222
radic minus1023
radic +222
radic +225
radic minus1026
radic +122
radic minus630
radic +227
radic
4 Journal of Chemistry
minus829
radic +227
radic +228
radic +231
radic minus1432
radic minus334
radic minus1035
radic +128
radic +3736
radic 1113889
Rve
(VC[m n]) 6324
radic mn +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic +1288
radic1113888
+8306
radic minus15324
radic 1113889m +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic1113888
+1288
radic +2306
radic minus15324
radic 1113889n +132
radic +255
radic +360
radic minus472
radic +2110
radic +2121
radic1113888
minus484
radic minus10130
radic +2117
radic +2154
radic minus10168
radic +1112
radic +6221
radic +2182
radic minus8208
radic
+2176
radic +2187
radic +2238
radic minus14252
radic minus3288
radic minus10300
radic +1180
radic +37324
radic 1113889 (3b)
Proof To compute the ve degree-based indices we need tofind the edge partition of E(VC[m n]) based on the vedegree of end vertices of each edge is partition is
presented in Table 3 Now using the values from Table 3 andthe definition of ve degree indices we get
Mβve1 (VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v)( 1113857
(12) E11113868111386811138681113868
1113868111386811138681113868 +(16) E21113868111386811138681113868
1113868111386811138681113868 +(16) E31113868111386811138681113868
1113868111386811138681113868 +(20) E41113868111386811138681113868
1113868111386811138681113868 +(17) E51113868111386811138681113868
1113868111386811138681113868 +(21) E61113868111386811138681113868
1113868111386811138681113868
+(22) E71113868111386811138681113868
1113868111386811138681113868 +(23) E81113868111386811138681113868
1113868111386811138681113868 +(22) E91113868111386811138681113868
1113868111386811138681113868 +(25) E101113868111386811138681113868
1113868111386811138681113868 +(22) E111113868111386811138681113868
1113868111386811138681113868 +(26) E121113868111386811138681113868
1113868111386811138681113868 +(22) E131113868111386811138681113868
1113868111386811138681113868
+(30) E141113868111386811138681113868
1113868111386811138681113868 +(27) E151113868111386811138681113868
1113868111386811138681113868 +(29) E161113868111386811138681113868
1113868111386811138681113868 +(27) E171113868111386811138681113868
1113868111386811138681113868 +(28) E181113868111386811138681113868
1113868111386811138681113868
+(31) E191113868111386811138681113868
1113868111386811138681113868 +(32) E201113868111386811138681113868
1113868111386811138681113868 +(34) E211113868111386811138681113868
1113868111386811138681113868 +(35) E221113868111386811138681113868
1113868111386811138681113868
+(28) E231113868111386811138681113868
1113868111386811138681113868 +(36) E241113868111386811138681113868
1113868111386811138681113868
(12)(1) +(16)(2) +(16)(3) +(20)(m + n minus 4) +(17)(2) +(21)(2) +(22)(2)
+(23)(2m + 2n minus 10) +(22)(2) +(25)(2) +(22)(2) +(26)(2m + 2n minus 10)
+(22)(1) +(30)(m + n minus 6) +(27)(2) +(29)(2m + 2n minus 8) +(27)(2) +(28)(2)
+(31)(2) +(32)(3m + 3n minus 14) +(34)(m + n minus 3) +(35)(8m + 2n minus 10)
+(28)(1) +(36)(6mn minus 15m minus 15n + 37)
216mn + 76m + 20n + 54
Mβve2 (VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) times dve(v)( 1113857
(32) E11113868111386811138681113868
1113868111386811138681113868 +(55) E21113868111386811138681113868
1113868111386811138681113868 +(60) E31113868111386811138681113868
1113868111386811138681113868 +(84) E41113868111386811138681113868
1113868111386811138681113868 +(72) E51113868111386811138681113868
1113868111386811138681113868 +(110) E61113868111386811138681113868
1113868111386811138681113868
+(168) E121113868111386811138681113868
1113868111386811138681113868 +(112) E131113868111386811138681113868
1113868111386811138681113868 +(121) E71113868111386811138681113868
1113868111386811138681113868 +(130) E81113868111386811138681113868
1113868111386811138681113868 +(117) E91113868111386811138681113868
1113868111386811138681113868
+(154) E101113868111386811138681113868
1113868111386811138681113868 +(120) E111113868111386811138681113868
1113868111386811138681113868 +(121) E141113868111386811138681113868
1113868111386811138681113868 +(182) E151113868111386811138681113868
1113868111386811138681113868 +(208) E161113868111386811138681113868
1113868111386811138681113868
+(176) E171113868111386811138681113868
1113868111386811138681113868 +(187) E181113868111386811138681113868
1113868111386811138681113868 +(238) E191113868111386811138681113868
1113868111386811138681113868 +(252) E201113868111386811138681113868
1113868111386811138681113868 +(288) E211113868111386811138681113868
1113868111386811138681113868
Journal of Chemistry 5
+(306) E221113868111386811138681113868
1113868111386811138681113868 +(180) E231113868111386811138681113868
1113868111386811138681113868 +(324) E241113868111386811138681113868
1113868111386811138681113868
(32)(1) +(55)(2) +(60)(3) +(84)(m + n minus 4) +(72)(2) +(110)(2) +(121)(2)
+(130)(2m + 2n minus 10) +(117)(2) +(154)(2) +(120)(2) +(168)(2m + 2n minus 10)
+(112)(1) +(121)(m + n minus 6) +(182)(2) +(208)(2m + 2n minus 8) +(176)(2)
+(187)(2) +(238)(2) +(252)(3m + 3n minus 14) +(288)(m + n minus 3)
+(306)(8m + 2n minus 10) +(180)(1) +(324)(6mn minus 15m minus 15n + 37)
1944mn minus 51m minus 1887n + 1798 (4)
ABCve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v) minus 2
dve(u) times dve(v)( 1113857
1113971
1032
1113970
1113888 1113889 E11113868111386811138681113868
1113868111386811138681113868 +
1455
1113970
1113888 1113889 E21113868111386811138681113868
1113868111386811138681113868 +
1460
1113970
1113888 1113889 E31113868111386811138681113868
1113868111386811138681113868 +
1884
1113970
1113888 1113889 E41113868111386811138681113868
1113868111386811138681113868 +
21130
1113970
1113888 1113889 E81113868111386811138681113868
1113868111386811138681113868
+
1572
1113970
1113888 1113889 E51113868111386811138681113868
1113868111386811138681113868 +
19110
1113970
1113888 1113889 E61113868111386811138681113868
1113868111386811138681113868 +
20121
1113970
1113888 1113889 E71113868111386811138681113868
1113868111386811138681113868 +
22117
1113970
1113888 1113889 E91113868111386811138681113868
1113868111386811138681113868
+
23154
1113970
1113888 1113889 E101113868111386811138681113868
1113868111386811138681113868 +
20120
1113970
1113888 1113889 E111113868111386811138681113868
1113868111386811138681113868 +
24168
1113970
1113888 1113889 E121113868111386811138681113868
1113868111386811138681113868 +
22112
1113970
1113888 1113889 E131113868111386811138681113868
1113868111386811138681113868
+
28121
1113970
1113888 1113889 E141113868111386811138681113868
1113868111386811138681113868 +
25182
1113970
1113888 1113889 E151113868111386811138681113868
1113868111386811138681113868 +
27208
1113970
1113888 1113889 E161113868111386811138681113868
1113868111386811138681113868 +
25176
1113970
1113888 1113889 E171113868111386811138681113868
1113868111386811138681113868
+
26187
1113970
1113888 1113889 E181113868111386811138681113868
1113868111386811138681113868 +
29238
1113970
1113888 1113889 E191113868111386811138681113868
1113868111386811138681113868 +
30252
1113970
1113888 1113889 E201113868111386811138681113868
1113868111386811138681113868 +
32288
1113970
1113888 1113889 E211113868111386811138681113868
1113868111386811138681113868
+
33306
1113970
1113888 1113889 E221113868111386811138681113868
1113868111386811138681113868 +
26180
1113970
1113888 1113889 E231113868111386811138681113868
1113868111386811138681113868 +
34324
1113970
1113888 1113889 E241113868111386811138681113868
1113868111386811138681113868
634324
1113970
1113888 1113889mn +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
+ 227208
1113970
+ 330252
1113970
1113888
Table 3 Edge Partition of vanadium carbide
Edge (dve(u) dve(v)) Frequency
E1 (4 8) 1E2 (5 11) 2E3 (6 10) 3E4 (6 14) m + n minus 4E5 (9 8) 2E6 (10 11) 2E7 (11 11) 2E8 (10 13) 2m + 2n minus 10E9 (9 13) 2E10 (11 14) 2E11 (12 10) 2E12 (12 14) 2m + 2n minus 10E13 (8 14) 1E14 (17 13) m + n minus 6E15 (14 13) 2E16 (16 13) 2m + 2n minus 8E17 (16 11) 2E18 (17 11) 2E19 (17 14) 2E20 (18 14) 3m + 3n minus 14E21 (16 18) m + n minus 3E22 (17 18) 2m + 2n minus 10E23 (18 10) 1E24 (18 18) 6mn minus 15m minus 15n + 37
6 Journal of Chemistry
+
32288
1113970
+ 833306
1113970
minus 1534324
1113970
1113889m +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
1113888
+ 227208
1113970
+ 330252
1113970
+
32288
1113970
+ 233306
1113970
minus 1534324
1113970
1113889n +
1032
1113970
+ 21455
1113970
1113888
+ 31460
1113970
minus 41884
1113970
+ 21572
1113970
+ 219110
1113970
+ 220121
1113970
minus 1021130
1113970
+ 222117
1113970
+ 223154
1113970
+ 220120
1113970
minus 1024168
1113970
+
22112
1113970
minus 628121
1113970
+ 225182
1113970
minus 827208
1113970
+ 225176
1113970
+ 226187
1113970
+ 229238
1113970
minus 1430252
1113970
minus 332288
1113970
minus 1033306
1113970
+
26180
1113970
+ 3734324
1113970
1113889 (5a)
GAve(VC[m n]) 1113944
uvisinE(VC[mn])
2dve(u) times dve(v)
1113968
dve(u) + dve(v)( 1113857
2
32
radic
121113888 1113889 E1
11138681113868111386811138681113868111386811138681113868 +
255
radic
161113888 1113889 E2
11138681113868111386811138681113868111386811138681113868 +
260
radic
161113888 1113889 E3
11138681113868111386811138681113868111386811138681113868 +
284
radic
201113888 1113889 E4
11138681113868111386811138681113868111386811138681113868 +
272
radic
171113888 1113889 E5
11138681113868111386811138681113868111386811138681113868
+2
110
radic
211113888 1113889 E6
11138681113868111386811138681113868111386811138681113868 +
2121
radic
221113888 1113889 E7
11138681113868111386811138681113868111386811138681113868 +
2130
radic
231113888 1113889 E8
11138681113868111386811138681113868111386811138681113868 +
2117
radic
221113888 1113889 E9
11138681113868111386811138681113868111386811138681113868
+2
154
radic
251113888 1113889 E10
11138681113868111386811138681113868111386811138681113868 +
2120
radic
221113888 1113889 E11
11138681113868111386811138681113868111386811138681113868 +
2168
radic
261113888 1113889 E12
11138681113868111386811138681113868111386811138681113868 +
2112
radic
221113888 1113889 E13
11138681113868111386811138681113868111386811138681113868
+2
121
radic
301113888 1113889 E14
11138681113868111386811138681113868111386811138681113868 +
2182
radic
271113888 1113889 E15
11138681113868111386811138681113868111386811138681113868 +
2208
radic
291113888 1113889 E16
11138681113868111386811138681113868111386811138681113868 +
2176
radic
271113888 1113889 E17
11138681113868111386811138681113868111386811138681113868
+2
187
radic
281113888 1113889 E18
11138681113868111386811138681113868111386811138681113868 +
2238
radic
311113888 1113889 E19
11138681113868111386811138681113868111386811138681113868 +
2252
radic
321113888 1113889 E20
11138681113868111386811138681113868111386811138681113868 +
2288
radic
341113888 1113889 E21
11138681113868111386811138681113868111386811138681113868
+2
306
radic
351113888 1113889 E22
11138681113868111386811138681113868111386811138681113868 +
2180
radic
281113888 1113889 E23
11138681113868111386811138681113868111386811138681113868 +
2324
radic
361113888 1113889 E24
11138681113868111386811138681113868111386811138681113868
12
324
radic
36mn +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
30+4
208
radic
29+6
252
radic
321113888
+2
288
radic
34+16
306
radic
35minus30
324
radic
361113889m +
284
radic
201113888 +
4130
radic
23+4
168
radic
26+2
121
radic
30
+4
208
radic
29+6
252
radic
32+2
288
radic
34+4
306
radic
35minus30
324
radic
361113889n +
232
radic
12+4
55
radic
161113888
+6
60
radic
16minus8
84
radic
20+4
72
radic
17+4
110
radic
21+4
121
radic
22minus20
130
radic
23+4
117
radic
22+4
154
radic
25
+4
120
radic
22minus20
168
radic
26+2
112
radic
22minus12
121
radic
30+4
182
radic
27minus16
208
radic
29+4
176
radic
27
+4
187
radic
28+4
238
radic
31minus28
252
radic
32minus6
288
radic
34minus20
306
radic
35+2
180
radic
28+74
324
radic
361113889
(5b)
Hve
(VC[m n]) 1113944uvisinE(VC[mn])
2dve(u) + dve(v)
212
1113874 1113875 E11113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E21113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E31113868111386811138681113868
1113868111386811138681113868 +220
1113874 1113875 E41113868111386811138681113868
1113868111386811138681113868 +217
1113874 1113875 E51113868111386811138681113868
1113868111386811138681113868 +221
1113874 1113875 E61113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E71113868111386811138681113868
1113868111386811138681113868 +223
1113874 1113875 E81113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E91113868111386811138681113868
1113868111386811138681113868 +225
1113874 1113875 E101113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E111113868111386811138681113868
1113868111386811138681113868 +226
1113874 1113875 E121113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E131113868111386811138681113868
1113868111386811138681113868 +230
1113874 1113875 E141113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E151113868111386811138681113868
1113868111386811138681113868 +229
1113874 1113875 E161113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E171113868111386811138681113868
1113868111386811138681113868
Journal of Chemistry 7
+228
1113874 1113875 E181113868111386811138681113868
1113868111386811138681113868 +231
1113874 1113875 E191113868111386811138681113868
1113868111386811138681113868 +232
1113874 1113875 E201113868111386811138681113868
1113868111386811138681113868 +234
1113874 1113875 E211113868111386811138681113868
1113868111386811138681113868 +235
1113874 1113875 E221113868111386811138681113868
1113868111386811138681113868
+228
1113874 1113875 E231113868111386811138681113868
1113868111386811138681113868 +236
1113874 1113875 E241113868111386811138681113868
1113868111386811138681113868
13
mn +1097490593929469607440
m +39532069247643760
n +801297510323950023374300
(6a)
χve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v)( 1113857minus 12
(12)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(20)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(17)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(21)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(23)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E91113868111386811138681113868
1113868111386811138681113868 +(25)minus 12
E101113868111386811138681113868
1113868111386811138681113868
+(22)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(26)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E131113868111386811138681113868
1113868111386811138681113868 +(30)minus 12
E141113868111386811138681113868
1113868111386811138681113868
+(27)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(29)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(27)minus 12
E171113868111386811138681113868
1113868111386811138681113868 +(28)minus 12
E181113868111386811138681113868
1113868111386811138681113868
+(31)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(32)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(34)minus 12
E211113868111386811138681113868
1113868111386811138681113868 +(35)minus 12
E221113868111386811138681113868
1113868111386811138681113868
+(28)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(36)minus 12
E241113868111386811138681113868
1113868111386811138681113868
mn +120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +835
radic minus1536
radic1113888 1113889m
+120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +235
radic minus1536
radic1113888 1113889n
+112
radic +216
radic +316
radic minus420
radic +217
radic +221
radic +222
radic minus1023
radic +222
radic +225
radic1113888
minus1026
radic +122
radic minus630
radic +227
radic minus829
radic +227
radic +228
radic +231
radic minus1432
radic minus334
radic
minus1035
radic +128
radic +3736
radic 1113889
(6b)
Rve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) times dve(v)( 1113857minus 12
(32)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(55)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(60)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(84)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(72)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(110)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(121)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(130)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(117)minus 12
E91113868111386811138681113868
1113868111386811138681113868
+(154)minus 12
E101113868111386811138681113868
1113868111386811138681113868 +(120)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(168)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(112)minus 12
E131113868111386811138681113868
1113868111386811138681113868
+(121)minus 12
E141113868111386811138681113868
1113868111386811138681113868 +(182)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(208)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(176)minus 12
E171113868111386811138681113868
1113868111386811138681113868
+(187)minus 12
E181113868111386811138681113868
1113868111386811138681113868 +(238)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(252)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(288)minus 12
E211113868111386811138681113868
1113868111386811138681113868
+(306)minus 12
E221113868111386811138681113868
1113868111386811138681113868 +(180)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(324)minus 12
E241113868111386811138681113868
1113868111386811138681113868
6324
radic mn +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic +1288
radic1113888
+8306
radic minus15324
radic 1113889m +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic1113888
+1288
radic +2306
radic minus15324
radic 1113889n +132
radic +255
radic +360
radic minus472
radic +2110
radic1113888
+2121
radic minus484
radic minus10130
radic +2117
radic +2154
radic minus10168
radic +1112
radic +6221
radic
+2182
radic minus8208
radic +2176
radic +2187
radic +2238
radic minus14252
radic minus3288
radic minus10300
radic
+1180
radic +37324
radic 1113889
(7)
8 Journal of Chemistry
4 Numerical Results and Discussion
Topological indices are used as vital tools for the analysisof chemicals given the essential topology of chemicalstructures Zagreb-type indices are used to calculate thetotal πminus electronic energy of molecules [32] e Randichindex is commonly used to determine the chemicalsimilarity of molecular compounds as well as to calculate
the boiling point and Kovaz constants of molecules [33]e atom-bond connectivity index (ABC) provides a verygood correlation for calculating strain energies as well asfor the stability of linear and branched chemical structures[34] It can be seen from Table 4 and 5 and Figures 2ndash6 ofindices an increase in the value of m and n raises thevalues of topological descriptors for vanadium carbidestructure
Table 4 Numerical results of indices for vanadium carbide
[m n] Mev(H) Rev(H) Mαve1 (H) M
βve1 (H) M
βve2 (H)
[1 1] 92 0133 2 1324 2110 1804[2 2] 1026 1070 4 2732 2854 5698[3 3] 2932 2763 6 4788 4030 13 480[4 4] 5810 5212 6 7492 5638 25150[5 5] 9660 8417 7 10 844 7678 40 708[6 6] 14 482 12378 6 14 844 10150 60154[7 7] 20 276 17095 4 19 492 13 054 83 488[8 8] 27 042 22568 2 24 788 16 390 110 710[9 9] 34 780 28796 9 30 732 20158 141 820[10 10] 43 490 35781 6 37 324 24 358 176 818
Table 5 Numerical results of indices for vanadium carbide
[m n] ABCve(H) GAve(H) Hve(H) χve(H) Rve(H)
[1 1] 4707 4 10857 0 1708 8 1855 0 1031 9[2 2] 13289 6 32034 6 3240 9 6122 7 2722 3[3 3] 25759 0 65212 2 5439 6 12390 3 5079 3[4 4] 42115 7 110389 8 8305 0 20657 9 8103 0[5 5] 62359 7 167567 4 11837 0 30925 5 11793 3[6 6] 86491 0 236745 0 16035 7 43193 2 16150 3[7 7] 114509 6 317922 6 20901 1 57460 8 21174 0[8 8] 146415 5 411100 2 26433 2 73728 4 26864 3[9 9] 182208 7 516277 9 32631 9 919961 33221 3[10 10] 221889 3 633455 5 39497 3 112263 7 40245 0
14000
12000
10000
8000
6000
4000
2000
Mev
1 2 3 4 5 6 5 4 3 2 1
mn
(a)
20
15
10
5
Rev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(b)
Figure 2 3D plot of (a) Mev(VC[m n]) (b) Rev(VC[m n])
Journal of Chemistry 9
16000
14000
12000
10000
80001
6000
4000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(a)
100000
80000
60000
40000
20000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1n m
2
(b)
Figure 3 3D plot of (a) Mβve1 (VC[m n]) (b) Mβve
2 (VC[m n])
200
150
100
50
ABCv
e
1 2 3 4 5 6 7 8 910 9 8 7 6 5 4 3 2 1
mn
(a)
600
500
400
300
200
100
GAve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 4 3D plot of (a) ABCve(VC[m n]) (b) GAve(VC[m n])
353025201510
5
Hve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(a)
100
80
60
40
20
xve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 5 3D plot of (a) Hve(VC[m n]) (b) χve(VC[m n])
10 Journal of Chemistry
5 Conclusion
Graphs invariants are calculated by some well-known to-pological indices which are important tools for resemblingand forecasting the properties of chemical compounds inQSPRs and the QSARs e TI is a numerical measure thatrepresents the biological physical and chemical propertiesof molecules such as boiling melting and flickering pointmoisture and forming heat In this paper we have com-puted the ev degree and ve degree-based topological indiceswith graphical representations for the molecular structure ofvanadium carbide for a better understanding of pharma-ceutical physical chemical and biological properties
Data Availability
No data were used to support this study
Disclosure
is research was carried out as a part of employment of theauthors
Conflicts of Interest
e authors hereby declare that there are no conflicts ofinterest regarding the publication of this paper
References
[1] B Sahin and S Ediz ldquoOn ev-degree and ve-degree topo-logical indicesrdquo Iranian Journal of Mathematical Chemistryvol 9 no 4 pp 263ndash277 2018
[2] S Hosamani D Perigidad S Jamagoud Y Maled andS Gavade ldquoQSPR analysis of certain degree based topologicalindicesrdquo Journal of Statistics Applications amp Probability vol 6no 2 pp 361ndash371 2017
[3] S Ediz ldquoPredicting some physicochemical properties of oc-tane isomers a topological approach using ev-degree and ve-degree Zagreb indicesrdquo 2017 httpsuiadsabsharvardedulink_gateway2017arXiv170102859EarXiv170102859
[4] H Wiener ldquoStructural determination of paraffin boilingpointsrdquo Journal of the American Chemical Society vol 69no 1 pp 17ndash20 1947
[5] M Randic ldquoCharacterization of molecular branchingrdquoJournal of the American Chemical Society vol 97 no 23pp 6609ndash6615 1975
[6] I Gutman and N Trinajstic ldquoGraph theory and molecularorbitals Total φ-electron energy of alternant hydrocarbonsrdquoChemical Physics Letters vol 17 no 4 pp 535ndash538 1972
[7] S Ediz ldquoPredicting some physicochemical properties ofoctane isomers a topological approach using ev-degree andve-degree Zagreb indicesrdquo 2017
[8] Y-X Li A Rauf M Naeem M Ahsan Binyamin andA Aslam ldquordquoValency-based topological properties of linearhexagonal chain and hammer-like benzenoidrdquo Complexityp 2021 2021
[9] S-B Chen A Rauf M Ishtiaq M Naeem and A Aslam ldquoOnve-degree- and ev-degree-based topological properties ofcrystallographic structure of cuprite Cu2Ordquo Open Chemistryvol 19 no 1 pp 576ndash585 2021
[10] S Shirakol M Kalyanshetti M Sunilkumar and HosamanldquoQSPR analysis of certain distance based topological indicesrdquoApplied Mathematics and Nonlinear Sciences vol 4 no 2pp 371ndash386 2019
[11] S J Patel D Ng and M S Mannan ldquoQSPR flash pointprediction of solvents using topological indices for applicationin computer aided molecular designrdquo Industrial amp Engi-neering Chemistry Research vol 48 no 15 pp 7378ndash73872009
[12] J C Dearden ldquoe use of topological indices in QSAR andQSPR modelingrdquo in Advances in QSAR Modeling Challengesand Advances in Computational Chemistry and Physicspp 57ndash88 Springer Cham Switzerland 2017
[13] W Xing F Meng and R Yu ldquoA new type of vanadiumcarbide V5C3 and its hardening by tuning Fermi energyrdquoScientific Reports vol 6 no 1 pp 21794ndash21799 2016
[14] A VahidMohammadi A Hadjikhani S Shahbazmohamadiand M Beidaghi ldquoTwo-dimensional vanadium carbide(MXene) as a high-capacity cathode material for rechargeablealuminum batteriesrdquo ACS Nano vol 11 no 11pp 11135ndash11144 2017
[15] Y Guan S Jiang Y Cong et al ldquoA hydrofluoric acid-freesynthesis of 2D vanadium carbide (V2C) MXene for
70
60
50
40
30
20
10
Rve
2 4 6 8 10 12 14 12 10 8 6 4 2
mn
Figure 6 Graphical representation of Rve(VC[m n])
Journal of Chemistry 11
supercapacitor electrodesrdquo 2D Materials vol 7 no 2 ArticleID 025010 2020
[16] D Huang Y Xie D Lu et al ldquoDemonstration of a white laserwith V2C MXene-based quantum dotsrdquo Advanced Materialsvol 31 pp 1901117ndash24 2019
[17] D B West Introduction to Graph eory Vol 2 Prentice-Hall Upper Saddle River NJ USA 2001
[18] M Chellali T W Haynes S T Hedetniemi and T M LewisldquoOn ve-degrees and ev-degrees in graphsrdquo Discrete Mathe-matics vol 340 no 2 pp 31ndash38 2017
[19] A N A Koam A Ahmad and A A Ahamdini ldquoCompu-tation of vertex-edge degree based topological descriptors forhex-derived networksrdquo IEEE Access 2021
[20] E A Refaee and A Ahmad ldquoA study of hexagon star networkwith vertex-edge-based topological descriptorsrdquo Complexityvol 2021 2021
[21] A Ahmad ldquoComparative study of ve-degree and ev-degreetopological descriptors for benzene ring embedded in P-Type-Surface in 2D networkrdquo Polycyclic Aromatic Compoundspp 1ndash10 2020
[22] J Zhang M K Siddiqui A Rauf and M Ishtiaq ldquoOn ve-degree and ev-degree based topological properties of singlewalled titanium dioxide nanotuberdquo Journal of Cluster Sciencepp 1ndash12 2020
[23] B Horoldagva K Ch Das and T-A Selenge ldquoOn ve-Degreeand ev-Degree of Graphsrdquo Discrete Optimization vol 31pp 1ndash7 2019
[24] Te-H Fang S-R Jian and D-S Chuu ldquoNanomechanicalproperties of TiC TiN and TiCN thin films using scanningprobe microscopy and nanoindentationrdquo Applied SurfaceScience vol 228 no 1ndash4 pp 365ndash372 2004
[25] H G Prengel W R Pfouts and A T Santhanam ldquoState ofthe art in hard coatings for carbide cutting toolsrdquo Surface andCoatings Technology vol 102 no 3 pp 183ndash190 1998
[26] K H Lo F T Cheng C T Kwok and H Chung ManldquoMprovement of cavitation erosion resistance of AISI 316stainless steel by laser surface alloying using fineWC powderrdquoSurface and Coatings Technology vol 165 no 3 pp 258ndash2672003
[27] B Chicco W E Borbidge and E Summerville ldquoExperi-mental study of vanadium carbide and carbonitride coatingsrdquoMaterials Science and Engineering A vol 266 no 1-2pp 62ndash72 1999
[28] S A Hassanzadeh-Tabrizi ldquoHoma Hosseini Badr and SaraAlizadeh rdquoIn situ synthesis of vanadium carbide-coppernanocomposite by a modified mechanochemical combustionmethodrdquo Ceramics International vol 42 no 8pp 9371ndash9374 2016
[29] D Ferro J V Rau A Generosi V Rossi Albertini A Latiniand S M Barinov ldquoElectron beam deposited VC and NbCthin films on titanium hardness and energy-dispersive X-raydiffraction studyrdquo Surface and Coatings Technology vol 202no 10 pp 2162ndash2168 2008
[30] L BWang Z F Chen Y Zhang andW PWu InternationalJournal of Refractory Metals and Hard Materials p 20042009
[31] A Aouni P Weisbecker T Huu Loi and E Bauer-GrosseldquoSearch for new materials in sputtered V1-xCx filmsrdquo inSolid Films vol 469 pp 315ndash321 2004
[32] I Gutman B Ruscic N Trinajstic and C F Wilcox JrldquoGraph theory and molecular orbitals XII Acyclic polyenesrdquoe Journal of Chemical Physics vol 62 no 9 pp 3399ndash34051975
[33] N Nikolova and J Jaworska ldquoApproaches to measurechemical similarityndasha reviewrdquo QSAR amp Combinatorial Sci-ence vol 22 no 9-10 pp 1006ndash1026 2003
[34] E Estrada L Torres L Rodriguez and I Gutman ldquoAn atom-bond connectivity index modelling the enthalpy of formationof alkanesrdquo 1998
12 Journal of Chemistry
+(8)2(2m + 2n minus 6) +(9)
2(1) +(7)
2(3m + 3n minus 8)
+(8)2(6mn minus 9m minus 9n + 13)
486mn minus 262m minus 262n + 130
Rev
(VC[m n]) 1113944eisinE(Z)
dev(e)minus 12
(5)minus 12
E(14)
11138681113868111386811138681113868111386811138681113868 +(6)
minus 12E(15)
11138681113868111386811138681113868111386811138681113868 +(7)
minus 12E(16)
11138681113868111386811138681113868111386811138681113868 +(6)
minus 12E(24)
11138681113868111386811138681113868111386811138681113868 +(7)
minus 12E(25)
11138681113868111386811138681113868111386811138681113868
+(8)minus 12
E(26)
11138681113868111386811138681113868111386811138681113868 +(7)
minus 12E(34)
11138681113868111386811138681113868111386811138681113868 +(8)
minus 12E(35)
11138681113868111386811138681113868111386811138681113868 +(9)
minus 12E(36)
11138681113868111386811138681113868111386811138681113868
Table 1 Mathematical formula of topological indices
Topological indices Notation Mathematical formulaEv degree Randic index Rev(G) 1113936eisinE(G)dev(e)minus (12)
First Zagreb β-index Mβve1 (G) 1113936uvisinE(G)(dve(u) + dve(v))
Ev degree Zagreb index Mev(G) 1113936eisinE(G)dev(e)2
Second Zagreb β-index Mβve2 (G) 1113936uvisinE(G)(dve(u) times dve(v))
Ve degree harmonic index Hve(G) 1113936uvisinE(G)((2)(dve(u) + dve(v)))
Ve degree sum connectivity index χve(G) 1113936uvisinE(G)(dve(u) + dve(v))minus 12
Ve degree geometric arithmetic index GAve(G) 1113936uvisinE(G)(2dve(u) times dve(v)
1113968)(dve(u) + dve(v))
Ve degree atom bond connectivity index ABCve(G) 1113936uvisinE(G)
(dve(u) + dve(v) minus 2)(dve(u) times dve(v))
1113968
n = 5
n = 4
n = 3
n = 2
n = 1
m = 1m = 2m = 3m = 4m = 5
Figure 1 Molecular structure of vanadium carbide for m 5 and n 5
Table 2 Ev-degrees of edges of vanadium carbide
(d(u) d(v)) dev(e) Frequency
E(14) 5 1E(15) 6 2E(16) 7 m + n minus 1E(24) 6 2E(25) 7 2m + 2n minus 4E(26) 8 2m + 2n minus 6E(34) 7 l
E(35) 8 3m + 3n minus 8E(36) 9 6mn minus 9m minus 9n + 13
Journal of Chemistry 3
(5)minus 12
(1) +(6)minus 12
(2) +(7)minus 12
(m + n minus l) +(6)minus 12
(2) +(7)minus 12
(2m + 2n minus 4)
+(8)minus 12
(2m + 2n minus 6) +(9)minus 12
(1) +(7)minus 12
(3m + 3n minus 8)
+(8)minus 12
(6mn minus 9m minus 9n + 13)
17
radic mn +17
radic +27
radic +28
radic +38
radic minus99
radic1113888 1113889m +17
radic +27
radic +28
radic +38
radic minus99
radic1113888 1113889n
+15
radic +46
radic minus47
radic minus68
radic minus88
radic +13
9
radic1113888 1113889 (2)
Theorem 2 Let m nge 3 then
Mβve1 (VC[m n]) 216mn + 76m + 20n + 54
Mβve2 (VC[m n]) 1944mn minus 51m minus 1887n + 1798
ABCve
(VC[m n]) 634324
1113970
1113888 1113889mn +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
+ 227208
1113970
+ 330252
1113970
1113888
+
32288
1113970
+ 833306
1113970
minus 1534324
1113970
1113889m +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
1113888
+ 227208
1113970
+ 330252
1113970
+
32288
1113970
+ 233306
1113970
minus 1534324
1113970
1113889n +
1032
1113970
+ 21455
1113970
1113888
+ 31460
1113970
minus 41884
1113970
+ 21572
1113970
+ 219110
1113970
+ 220121
1113970
minus 1021130
1113970
+ 222117
1113970
+ 223154
1113970
+ 220120
1113970
minus 1024168
1113970 22112
1113970
minus 628121
1113970
+ 225182
1113970
minus 827208
1113970
+ 225176
1113970
+226187
1113970
+ 229238
1113970
minus 1430252
1113970
minus 332288
1113970
minus 1033306
1113970
+
26180
1113970
+ 3734324
1113970
1113889
GAve
(VC[m n]) 12
324
radic
36mn +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
30+4
208
radic
29+6
252
radic
321113888
+2
288
radic
34+16
306
radic
35minus30
324
radic
361113889m +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
301113888
+4
208
radic
29+6
252
radic
32+2
288
radic
34+4
306
radic
35minus30
324
radic
361113889n +
232
radic
12+4
55
radic
161113888
+6
60
radic
16minus8
84
radic
20+4
72
radic
17+4
110
radic
21+4
121
radic
22minus20
130
radic
23+4
117
radic
22+4
154
radic
25
+4
120
radic
22minus20
168
radic
26+2
112
radic
22minus12
121
radic
30+4
182
radic
27minus16
208
radic
29+4
176
radic
27
+4
187
radic
28+4
238
radic
31minus28
252
radic
32minus6
288
radic
34minus20
306
radic
35+2
180
radic
28+74
324
radic
36⎞⎠
Hve
(VC[m n]) 13
mn +1097490593929469607440
m +39532069247643760
n +801297510323950023374300
(3a)
χve(Z) mn +
120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +835
radic minus1536
radic1113888 1113889m +120
radic1113888
+223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +235
radic minus1536
radic 1113889n +112
radic +216
radic +316
radic1113888
minus420
radic +217
radic +221
radic +222
radic minus1023
radic +222
radic +225
radic minus1026
radic +122
radic minus630
radic +227
radic
4 Journal of Chemistry
minus829
radic +227
radic +228
radic +231
radic minus1432
radic minus334
radic minus1035
radic +128
radic +3736
radic 1113889
Rve
(VC[m n]) 6324
radic mn +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic +1288
radic1113888
+8306
radic minus15324
radic 1113889m +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic1113888
+1288
radic +2306
radic minus15324
radic 1113889n +132
radic +255
radic +360
radic minus472
radic +2110
radic +2121
radic1113888
minus484
radic minus10130
radic +2117
radic +2154
radic minus10168
radic +1112
radic +6221
radic +2182
radic minus8208
radic
+2176
radic +2187
radic +2238
radic minus14252
radic minus3288
radic minus10300
radic +1180
radic +37324
radic 1113889 (3b)
Proof To compute the ve degree-based indices we need tofind the edge partition of E(VC[m n]) based on the vedegree of end vertices of each edge is partition is
presented in Table 3 Now using the values from Table 3 andthe definition of ve degree indices we get
Mβve1 (VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v)( 1113857
(12) E11113868111386811138681113868
1113868111386811138681113868 +(16) E21113868111386811138681113868
1113868111386811138681113868 +(16) E31113868111386811138681113868
1113868111386811138681113868 +(20) E41113868111386811138681113868
1113868111386811138681113868 +(17) E51113868111386811138681113868
1113868111386811138681113868 +(21) E61113868111386811138681113868
1113868111386811138681113868
+(22) E71113868111386811138681113868
1113868111386811138681113868 +(23) E81113868111386811138681113868
1113868111386811138681113868 +(22) E91113868111386811138681113868
1113868111386811138681113868 +(25) E101113868111386811138681113868
1113868111386811138681113868 +(22) E111113868111386811138681113868
1113868111386811138681113868 +(26) E121113868111386811138681113868
1113868111386811138681113868 +(22) E131113868111386811138681113868
1113868111386811138681113868
+(30) E141113868111386811138681113868
1113868111386811138681113868 +(27) E151113868111386811138681113868
1113868111386811138681113868 +(29) E161113868111386811138681113868
1113868111386811138681113868 +(27) E171113868111386811138681113868
1113868111386811138681113868 +(28) E181113868111386811138681113868
1113868111386811138681113868
+(31) E191113868111386811138681113868
1113868111386811138681113868 +(32) E201113868111386811138681113868
1113868111386811138681113868 +(34) E211113868111386811138681113868
1113868111386811138681113868 +(35) E221113868111386811138681113868
1113868111386811138681113868
+(28) E231113868111386811138681113868
1113868111386811138681113868 +(36) E241113868111386811138681113868
1113868111386811138681113868
(12)(1) +(16)(2) +(16)(3) +(20)(m + n minus 4) +(17)(2) +(21)(2) +(22)(2)
+(23)(2m + 2n minus 10) +(22)(2) +(25)(2) +(22)(2) +(26)(2m + 2n minus 10)
+(22)(1) +(30)(m + n minus 6) +(27)(2) +(29)(2m + 2n minus 8) +(27)(2) +(28)(2)
+(31)(2) +(32)(3m + 3n minus 14) +(34)(m + n minus 3) +(35)(8m + 2n minus 10)
+(28)(1) +(36)(6mn minus 15m minus 15n + 37)
216mn + 76m + 20n + 54
Mβve2 (VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) times dve(v)( 1113857
(32) E11113868111386811138681113868
1113868111386811138681113868 +(55) E21113868111386811138681113868
1113868111386811138681113868 +(60) E31113868111386811138681113868
1113868111386811138681113868 +(84) E41113868111386811138681113868
1113868111386811138681113868 +(72) E51113868111386811138681113868
1113868111386811138681113868 +(110) E61113868111386811138681113868
1113868111386811138681113868
+(168) E121113868111386811138681113868
1113868111386811138681113868 +(112) E131113868111386811138681113868
1113868111386811138681113868 +(121) E71113868111386811138681113868
1113868111386811138681113868 +(130) E81113868111386811138681113868
1113868111386811138681113868 +(117) E91113868111386811138681113868
1113868111386811138681113868
+(154) E101113868111386811138681113868
1113868111386811138681113868 +(120) E111113868111386811138681113868
1113868111386811138681113868 +(121) E141113868111386811138681113868
1113868111386811138681113868 +(182) E151113868111386811138681113868
1113868111386811138681113868 +(208) E161113868111386811138681113868
1113868111386811138681113868
+(176) E171113868111386811138681113868
1113868111386811138681113868 +(187) E181113868111386811138681113868
1113868111386811138681113868 +(238) E191113868111386811138681113868
1113868111386811138681113868 +(252) E201113868111386811138681113868
1113868111386811138681113868 +(288) E211113868111386811138681113868
1113868111386811138681113868
Journal of Chemistry 5
+(306) E221113868111386811138681113868
1113868111386811138681113868 +(180) E231113868111386811138681113868
1113868111386811138681113868 +(324) E241113868111386811138681113868
1113868111386811138681113868
(32)(1) +(55)(2) +(60)(3) +(84)(m + n minus 4) +(72)(2) +(110)(2) +(121)(2)
+(130)(2m + 2n minus 10) +(117)(2) +(154)(2) +(120)(2) +(168)(2m + 2n minus 10)
+(112)(1) +(121)(m + n minus 6) +(182)(2) +(208)(2m + 2n minus 8) +(176)(2)
+(187)(2) +(238)(2) +(252)(3m + 3n minus 14) +(288)(m + n minus 3)
+(306)(8m + 2n minus 10) +(180)(1) +(324)(6mn minus 15m minus 15n + 37)
1944mn minus 51m minus 1887n + 1798 (4)
ABCve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v) minus 2
dve(u) times dve(v)( 1113857
1113971
1032
1113970
1113888 1113889 E11113868111386811138681113868
1113868111386811138681113868 +
1455
1113970
1113888 1113889 E21113868111386811138681113868
1113868111386811138681113868 +
1460
1113970
1113888 1113889 E31113868111386811138681113868
1113868111386811138681113868 +
1884
1113970
1113888 1113889 E41113868111386811138681113868
1113868111386811138681113868 +
21130
1113970
1113888 1113889 E81113868111386811138681113868
1113868111386811138681113868
+
1572
1113970
1113888 1113889 E51113868111386811138681113868
1113868111386811138681113868 +
19110
1113970
1113888 1113889 E61113868111386811138681113868
1113868111386811138681113868 +
20121
1113970
1113888 1113889 E71113868111386811138681113868
1113868111386811138681113868 +
22117
1113970
1113888 1113889 E91113868111386811138681113868
1113868111386811138681113868
+
23154
1113970
1113888 1113889 E101113868111386811138681113868
1113868111386811138681113868 +
20120
1113970
1113888 1113889 E111113868111386811138681113868
1113868111386811138681113868 +
24168
1113970
1113888 1113889 E121113868111386811138681113868
1113868111386811138681113868 +
22112
1113970
1113888 1113889 E131113868111386811138681113868
1113868111386811138681113868
+
28121
1113970
1113888 1113889 E141113868111386811138681113868
1113868111386811138681113868 +
25182
1113970
1113888 1113889 E151113868111386811138681113868
1113868111386811138681113868 +
27208
1113970
1113888 1113889 E161113868111386811138681113868
1113868111386811138681113868 +
25176
1113970
1113888 1113889 E171113868111386811138681113868
1113868111386811138681113868
+
26187
1113970
1113888 1113889 E181113868111386811138681113868
1113868111386811138681113868 +
29238
1113970
1113888 1113889 E191113868111386811138681113868
1113868111386811138681113868 +
30252
1113970
1113888 1113889 E201113868111386811138681113868
1113868111386811138681113868 +
32288
1113970
1113888 1113889 E211113868111386811138681113868
1113868111386811138681113868
+
33306
1113970
1113888 1113889 E221113868111386811138681113868
1113868111386811138681113868 +
26180
1113970
1113888 1113889 E231113868111386811138681113868
1113868111386811138681113868 +
34324
1113970
1113888 1113889 E241113868111386811138681113868
1113868111386811138681113868
634324
1113970
1113888 1113889mn +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
+ 227208
1113970
+ 330252
1113970
1113888
Table 3 Edge Partition of vanadium carbide
Edge (dve(u) dve(v)) Frequency
E1 (4 8) 1E2 (5 11) 2E3 (6 10) 3E4 (6 14) m + n minus 4E5 (9 8) 2E6 (10 11) 2E7 (11 11) 2E8 (10 13) 2m + 2n minus 10E9 (9 13) 2E10 (11 14) 2E11 (12 10) 2E12 (12 14) 2m + 2n minus 10E13 (8 14) 1E14 (17 13) m + n minus 6E15 (14 13) 2E16 (16 13) 2m + 2n minus 8E17 (16 11) 2E18 (17 11) 2E19 (17 14) 2E20 (18 14) 3m + 3n minus 14E21 (16 18) m + n minus 3E22 (17 18) 2m + 2n minus 10E23 (18 10) 1E24 (18 18) 6mn minus 15m minus 15n + 37
6 Journal of Chemistry
+
32288
1113970
+ 833306
1113970
minus 1534324
1113970
1113889m +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
1113888
+ 227208
1113970
+ 330252
1113970
+
32288
1113970
+ 233306
1113970
minus 1534324
1113970
1113889n +
1032
1113970
+ 21455
1113970
1113888
+ 31460
1113970
minus 41884
1113970
+ 21572
1113970
+ 219110
1113970
+ 220121
1113970
minus 1021130
1113970
+ 222117
1113970
+ 223154
1113970
+ 220120
1113970
minus 1024168
1113970
+
22112
1113970
minus 628121
1113970
+ 225182
1113970
minus 827208
1113970
+ 225176
1113970
+ 226187
1113970
+ 229238
1113970
minus 1430252
1113970
minus 332288
1113970
minus 1033306
1113970
+
26180
1113970
+ 3734324
1113970
1113889 (5a)
GAve(VC[m n]) 1113944
uvisinE(VC[mn])
2dve(u) times dve(v)
1113968
dve(u) + dve(v)( 1113857
2
32
radic
121113888 1113889 E1
11138681113868111386811138681113868111386811138681113868 +
255
radic
161113888 1113889 E2
11138681113868111386811138681113868111386811138681113868 +
260
radic
161113888 1113889 E3
11138681113868111386811138681113868111386811138681113868 +
284
radic
201113888 1113889 E4
11138681113868111386811138681113868111386811138681113868 +
272
radic
171113888 1113889 E5
11138681113868111386811138681113868111386811138681113868
+2
110
radic
211113888 1113889 E6
11138681113868111386811138681113868111386811138681113868 +
2121
radic
221113888 1113889 E7
11138681113868111386811138681113868111386811138681113868 +
2130
radic
231113888 1113889 E8
11138681113868111386811138681113868111386811138681113868 +
2117
radic
221113888 1113889 E9
11138681113868111386811138681113868111386811138681113868
+2
154
radic
251113888 1113889 E10
11138681113868111386811138681113868111386811138681113868 +
2120
radic
221113888 1113889 E11
11138681113868111386811138681113868111386811138681113868 +
2168
radic
261113888 1113889 E12
11138681113868111386811138681113868111386811138681113868 +
2112
radic
221113888 1113889 E13
11138681113868111386811138681113868111386811138681113868
+2
121
radic
301113888 1113889 E14
11138681113868111386811138681113868111386811138681113868 +
2182
radic
271113888 1113889 E15
11138681113868111386811138681113868111386811138681113868 +
2208
radic
291113888 1113889 E16
11138681113868111386811138681113868111386811138681113868 +
2176
radic
271113888 1113889 E17
11138681113868111386811138681113868111386811138681113868
+2
187
radic
281113888 1113889 E18
11138681113868111386811138681113868111386811138681113868 +
2238
radic
311113888 1113889 E19
11138681113868111386811138681113868111386811138681113868 +
2252
radic
321113888 1113889 E20
11138681113868111386811138681113868111386811138681113868 +
2288
radic
341113888 1113889 E21
11138681113868111386811138681113868111386811138681113868
+2
306
radic
351113888 1113889 E22
11138681113868111386811138681113868111386811138681113868 +
2180
radic
281113888 1113889 E23
11138681113868111386811138681113868111386811138681113868 +
2324
radic
361113888 1113889 E24
11138681113868111386811138681113868111386811138681113868
12
324
radic
36mn +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
30+4
208
radic
29+6
252
radic
321113888
+2
288
radic
34+16
306
radic
35minus30
324
radic
361113889m +
284
radic
201113888 +
4130
radic
23+4
168
radic
26+2
121
radic
30
+4
208
radic
29+6
252
radic
32+2
288
radic
34+4
306
radic
35minus30
324
radic
361113889n +
232
radic
12+4
55
radic
161113888
+6
60
radic
16minus8
84
radic
20+4
72
radic
17+4
110
radic
21+4
121
radic
22minus20
130
radic
23+4
117
radic
22+4
154
radic
25
+4
120
radic
22minus20
168
radic
26+2
112
radic
22minus12
121
radic
30+4
182
radic
27minus16
208
radic
29+4
176
radic
27
+4
187
radic
28+4
238
radic
31minus28
252
radic
32minus6
288
radic
34minus20
306
radic
35+2
180
radic
28+74
324
radic
361113889
(5b)
Hve
(VC[m n]) 1113944uvisinE(VC[mn])
2dve(u) + dve(v)
212
1113874 1113875 E11113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E21113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E31113868111386811138681113868
1113868111386811138681113868 +220
1113874 1113875 E41113868111386811138681113868
1113868111386811138681113868 +217
1113874 1113875 E51113868111386811138681113868
1113868111386811138681113868 +221
1113874 1113875 E61113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E71113868111386811138681113868
1113868111386811138681113868 +223
1113874 1113875 E81113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E91113868111386811138681113868
1113868111386811138681113868 +225
1113874 1113875 E101113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E111113868111386811138681113868
1113868111386811138681113868 +226
1113874 1113875 E121113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E131113868111386811138681113868
1113868111386811138681113868 +230
1113874 1113875 E141113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E151113868111386811138681113868
1113868111386811138681113868 +229
1113874 1113875 E161113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E171113868111386811138681113868
1113868111386811138681113868
Journal of Chemistry 7
+228
1113874 1113875 E181113868111386811138681113868
1113868111386811138681113868 +231
1113874 1113875 E191113868111386811138681113868
1113868111386811138681113868 +232
1113874 1113875 E201113868111386811138681113868
1113868111386811138681113868 +234
1113874 1113875 E211113868111386811138681113868
1113868111386811138681113868 +235
1113874 1113875 E221113868111386811138681113868
1113868111386811138681113868
+228
1113874 1113875 E231113868111386811138681113868
1113868111386811138681113868 +236
1113874 1113875 E241113868111386811138681113868
1113868111386811138681113868
13
mn +1097490593929469607440
m +39532069247643760
n +801297510323950023374300
(6a)
χve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v)( 1113857minus 12
(12)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(20)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(17)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(21)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(23)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E91113868111386811138681113868
1113868111386811138681113868 +(25)minus 12
E101113868111386811138681113868
1113868111386811138681113868
+(22)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(26)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E131113868111386811138681113868
1113868111386811138681113868 +(30)minus 12
E141113868111386811138681113868
1113868111386811138681113868
+(27)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(29)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(27)minus 12
E171113868111386811138681113868
1113868111386811138681113868 +(28)minus 12
E181113868111386811138681113868
1113868111386811138681113868
+(31)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(32)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(34)minus 12
E211113868111386811138681113868
1113868111386811138681113868 +(35)minus 12
E221113868111386811138681113868
1113868111386811138681113868
+(28)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(36)minus 12
E241113868111386811138681113868
1113868111386811138681113868
mn +120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +835
radic minus1536
radic1113888 1113889m
+120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +235
radic minus1536
radic1113888 1113889n
+112
radic +216
radic +316
radic minus420
radic +217
radic +221
radic +222
radic minus1023
radic +222
radic +225
radic1113888
minus1026
radic +122
radic minus630
radic +227
radic minus829
radic +227
radic +228
radic +231
radic minus1432
radic minus334
radic
minus1035
radic +128
radic +3736
radic 1113889
(6b)
Rve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) times dve(v)( 1113857minus 12
(32)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(55)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(60)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(84)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(72)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(110)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(121)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(130)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(117)minus 12
E91113868111386811138681113868
1113868111386811138681113868
+(154)minus 12
E101113868111386811138681113868
1113868111386811138681113868 +(120)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(168)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(112)minus 12
E131113868111386811138681113868
1113868111386811138681113868
+(121)minus 12
E141113868111386811138681113868
1113868111386811138681113868 +(182)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(208)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(176)minus 12
E171113868111386811138681113868
1113868111386811138681113868
+(187)minus 12
E181113868111386811138681113868
1113868111386811138681113868 +(238)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(252)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(288)minus 12
E211113868111386811138681113868
1113868111386811138681113868
+(306)minus 12
E221113868111386811138681113868
1113868111386811138681113868 +(180)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(324)minus 12
E241113868111386811138681113868
1113868111386811138681113868
6324
radic mn +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic +1288
radic1113888
+8306
radic minus15324
radic 1113889m +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic1113888
+1288
radic +2306
radic minus15324
radic 1113889n +132
radic +255
radic +360
radic minus472
radic +2110
radic1113888
+2121
radic minus484
radic minus10130
radic +2117
radic +2154
radic minus10168
radic +1112
radic +6221
radic
+2182
radic minus8208
radic +2176
radic +2187
radic +2238
radic minus14252
radic minus3288
radic minus10300
radic
+1180
radic +37324
radic 1113889
(7)
8 Journal of Chemistry
4 Numerical Results and Discussion
Topological indices are used as vital tools for the analysisof chemicals given the essential topology of chemicalstructures Zagreb-type indices are used to calculate thetotal πminus electronic energy of molecules [32] e Randichindex is commonly used to determine the chemicalsimilarity of molecular compounds as well as to calculate
the boiling point and Kovaz constants of molecules [33]e atom-bond connectivity index (ABC) provides a verygood correlation for calculating strain energies as well asfor the stability of linear and branched chemical structures[34] It can be seen from Table 4 and 5 and Figures 2ndash6 ofindices an increase in the value of m and n raises thevalues of topological descriptors for vanadium carbidestructure
Table 4 Numerical results of indices for vanadium carbide
[m n] Mev(H) Rev(H) Mαve1 (H) M
βve1 (H) M
βve2 (H)
[1 1] 92 0133 2 1324 2110 1804[2 2] 1026 1070 4 2732 2854 5698[3 3] 2932 2763 6 4788 4030 13 480[4 4] 5810 5212 6 7492 5638 25150[5 5] 9660 8417 7 10 844 7678 40 708[6 6] 14 482 12378 6 14 844 10150 60154[7 7] 20 276 17095 4 19 492 13 054 83 488[8 8] 27 042 22568 2 24 788 16 390 110 710[9 9] 34 780 28796 9 30 732 20158 141 820[10 10] 43 490 35781 6 37 324 24 358 176 818
Table 5 Numerical results of indices for vanadium carbide
[m n] ABCve(H) GAve(H) Hve(H) χve(H) Rve(H)
[1 1] 4707 4 10857 0 1708 8 1855 0 1031 9[2 2] 13289 6 32034 6 3240 9 6122 7 2722 3[3 3] 25759 0 65212 2 5439 6 12390 3 5079 3[4 4] 42115 7 110389 8 8305 0 20657 9 8103 0[5 5] 62359 7 167567 4 11837 0 30925 5 11793 3[6 6] 86491 0 236745 0 16035 7 43193 2 16150 3[7 7] 114509 6 317922 6 20901 1 57460 8 21174 0[8 8] 146415 5 411100 2 26433 2 73728 4 26864 3[9 9] 182208 7 516277 9 32631 9 919961 33221 3[10 10] 221889 3 633455 5 39497 3 112263 7 40245 0
14000
12000
10000
8000
6000
4000
2000
Mev
1 2 3 4 5 6 5 4 3 2 1
mn
(a)
20
15
10
5
Rev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(b)
Figure 2 3D plot of (a) Mev(VC[m n]) (b) Rev(VC[m n])
Journal of Chemistry 9
16000
14000
12000
10000
80001
6000
4000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(a)
100000
80000
60000
40000
20000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1n m
2
(b)
Figure 3 3D plot of (a) Mβve1 (VC[m n]) (b) Mβve
2 (VC[m n])
200
150
100
50
ABCv
e
1 2 3 4 5 6 7 8 910 9 8 7 6 5 4 3 2 1
mn
(a)
600
500
400
300
200
100
GAve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 4 3D plot of (a) ABCve(VC[m n]) (b) GAve(VC[m n])
353025201510
5
Hve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(a)
100
80
60
40
20
xve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 5 3D plot of (a) Hve(VC[m n]) (b) χve(VC[m n])
10 Journal of Chemistry
5 Conclusion
Graphs invariants are calculated by some well-known to-pological indices which are important tools for resemblingand forecasting the properties of chemical compounds inQSPRs and the QSARs e TI is a numerical measure thatrepresents the biological physical and chemical propertiesof molecules such as boiling melting and flickering pointmoisture and forming heat In this paper we have com-puted the ev degree and ve degree-based topological indiceswith graphical representations for the molecular structure ofvanadium carbide for a better understanding of pharma-ceutical physical chemical and biological properties
Data Availability
No data were used to support this study
Disclosure
is research was carried out as a part of employment of theauthors
Conflicts of Interest
e authors hereby declare that there are no conflicts ofinterest regarding the publication of this paper
References
[1] B Sahin and S Ediz ldquoOn ev-degree and ve-degree topo-logical indicesrdquo Iranian Journal of Mathematical Chemistryvol 9 no 4 pp 263ndash277 2018
[2] S Hosamani D Perigidad S Jamagoud Y Maled andS Gavade ldquoQSPR analysis of certain degree based topologicalindicesrdquo Journal of Statistics Applications amp Probability vol 6no 2 pp 361ndash371 2017
[3] S Ediz ldquoPredicting some physicochemical properties of oc-tane isomers a topological approach using ev-degree and ve-degree Zagreb indicesrdquo 2017 httpsuiadsabsharvardedulink_gateway2017arXiv170102859EarXiv170102859
[4] H Wiener ldquoStructural determination of paraffin boilingpointsrdquo Journal of the American Chemical Society vol 69no 1 pp 17ndash20 1947
[5] M Randic ldquoCharacterization of molecular branchingrdquoJournal of the American Chemical Society vol 97 no 23pp 6609ndash6615 1975
[6] I Gutman and N Trinajstic ldquoGraph theory and molecularorbitals Total φ-electron energy of alternant hydrocarbonsrdquoChemical Physics Letters vol 17 no 4 pp 535ndash538 1972
[7] S Ediz ldquoPredicting some physicochemical properties ofoctane isomers a topological approach using ev-degree andve-degree Zagreb indicesrdquo 2017
[8] Y-X Li A Rauf M Naeem M Ahsan Binyamin andA Aslam ldquordquoValency-based topological properties of linearhexagonal chain and hammer-like benzenoidrdquo Complexityp 2021 2021
[9] S-B Chen A Rauf M Ishtiaq M Naeem and A Aslam ldquoOnve-degree- and ev-degree-based topological properties ofcrystallographic structure of cuprite Cu2Ordquo Open Chemistryvol 19 no 1 pp 576ndash585 2021
[10] S Shirakol M Kalyanshetti M Sunilkumar and HosamanldquoQSPR analysis of certain distance based topological indicesrdquoApplied Mathematics and Nonlinear Sciences vol 4 no 2pp 371ndash386 2019
[11] S J Patel D Ng and M S Mannan ldquoQSPR flash pointprediction of solvents using topological indices for applicationin computer aided molecular designrdquo Industrial amp Engi-neering Chemistry Research vol 48 no 15 pp 7378ndash73872009
[12] J C Dearden ldquoe use of topological indices in QSAR andQSPR modelingrdquo in Advances in QSAR Modeling Challengesand Advances in Computational Chemistry and Physicspp 57ndash88 Springer Cham Switzerland 2017
[13] W Xing F Meng and R Yu ldquoA new type of vanadiumcarbide V5C3 and its hardening by tuning Fermi energyrdquoScientific Reports vol 6 no 1 pp 21794ndash21799 2016
[14] A VahidMohammadi A Hadjikhani S Shahbazmohamadiand M Beidaghi ldquoTwo-dimensional vanadium carbide(MXene) as a high-capacity cathode material for rechargeablealuminum batteriesrdquo ACS Nano vol 11 no 11pp 11135ndash11144 2017
[15] Y Guan S Jiang Y Cong et al ldquoA hydrofluoric acid-freesynthesis of 2D vanadium carbide (V2C) MXene for
70
60
50
40
30
20
10
Rve
2 4 6 8 10 12 14 12 10 8 6 4 2
mn
Figure 6 Graphical representation of Rve(VC[m n])
Journal of Chemistry 11
supercapacitor electrodesrdquo 2D Materials vol 7 no 2 ArticleID 025010 2020
[16] D Huang Y Xie D Lu et al ldquoDemonstration of a white laserwith V2C MXene-based quantum dotsrdquo Advanced Materialsvol 31 pp 1901117ndash24 2019
[17] D B West Introduction to Graph eory Vol 2 Prentice-Hall Upper Saddle River NJ USA 2001
[18] M Chellali T W Haynes S T Hedetniemi and T M LewisldquoOn ve-degrees and ev-degrees in graphsrdquo Discrete Mathe-matics vol 340 no 2 pp 31ndash38 2017
[19] A N A Koam A Ahmad and A A Ahamdini ldquoCompu-tation of vertex-edge degree based topological descriptors forhex-derived networksrdquo IEEE Access 2021
[20] E A Refaee and A Ahmad ldquoA study of hexagon star networkwith vertex-edge-based topological descriptorsrdquo Complexityvol 2021 2021
[21] A Ahmad ldquoComparative study of ve-degree and ev-degreetopological descriptors for benzene ring embedded in P-Type-Surface in 2D networkrdquo Polycyclic Aromatic Compoundspp 1ndash10 2020
[22] J Zhang M K Siddiqui A Rauf and M Ishtiaq ldquoOn ve-degree and ev-degree based topological properties of singlewalled titanium dioxide nanotuberdquo Journal of Cluster Sciencepp 1ndash12 2020
[23] B Horoldagva K Ch Das and T-A Selenge ldquoOn ve-Degreeand ev-Degree of Graphsrdquo Discrete Optimization vol 31pp 1ndash7 2019
[24] Te-H Fang S-R Jian and D-S Chuu ldquoNanomechanicalproperties of TiC TiN and TiCN thin films using scanningprobe microscopy and nanoindentationrdquo Applied SurfaceScience vol 228 no 1ndash4 pp 365ndash372 2004
[25] H G Prengel W R Pfouts and A T Santhanam ldquoState ofthe art in hard coatings for carbide cutting toolsrdquo Surface andCoatings Technology vol 102 no 3 pp 183ndash190 1998
[26] K H Lo F T Cheng C T Kwok and H Chung ManldquoMprovement of cavitation erosion resistance of AISI 316stainless steel by laser surface alloying using fineWC powderrdquoSurface and Coatings Technology vol 165 no 3 pp 258ndash2672003
[27] B Chicco W E Borbidge and E Summerville ldquoExperi-mental study of vanadium carbide and carbonitride coatingsrdquoMaterials Science and Engineering A vol 266 no 1-2pp 62ndash72 1999
[28] S A Hassanzadeh-Tabrizi ldquoHoma Hosseini Badr and SaraAlizadeh rdquoIn situ synthesis of vanadium carbide-coppernanocomposite by a modified mechanochemical combustionmethodrdquo Ceramics International vol 42 no 8pp 9371ndash9374 2016
[29] D Ferro J V Rau A Generosi V Rossi Albertini A Latiniand S M Barinov ldquoElectron beam deposited VC and NbCthin films on titanium hardness and energy-dispersive X-raydiffraction studyrdquo Surface and Coatings Technology vol 202no 10 pp 2162ndash2168 2008
[30] L BWang Z F Chen Y Zhang andW PWu InternationalJournal of Refractory Metals and Hard Materials p 20042009
[31] A Aouni P Weisbecker T Huu Loi and E Bauer-GrosseldquoSearch for new materials in sputtered V1-xCx filmsrdquo inSolid Films vol 469 pp 315ndash321 2004
[32] I Gutman B Ruscic N Trinajstic and C F Wilcox JrldquoGraph theory and molecular orbitals XII Acyclic polyenesrdquoe Journal of Chemical Physics vol 62 no 9 pp 3399ndash34051975
[33] N Nikolova and J Jaworska ldquoApproaches to measurechemical similarityndasha reviewrdquo QSAR amp Combinatorial Sci-ence vol 22 no 9-10 pp 1006ndash1026 2003
[34] E Estrada L Torres L Rodriguez and I Gutman ldquoAn atom-bond connectivity index modelling the enthalpy of formationof alkanesrdquo 1998
12 Journal of Chemistry
(5)minus 12
(1) +(6)minus 12
(2) +(7)minus 12
(m + n minus l) +(6)minus 12
(2) +(7)minus 12
(2m + 2n minus 4)
+(8)minus 12
(2m + 2n minus 6) +(9)minus 12
(1) +(7)minus 12
(3m + 3n minus 8)
+(8)minus 12
(6mn minus 9m minus 9n + 13)
17
radic mn +17
radic +27
radic +28
radic +38
radic minus99
radic1113888 1113889m +17
radic +27
radic +28
radic +38
radic minus99
radic1113888 1113889n
+15
radic +46
radic minus47
radic minus68
radic minus88
radic +13
9
radic1113888 1113889 (2)
Theorem 2 Let m nge 3 then
Mβve1 (VC[m n]) 216mn + 76m + 20n + 54
Mβve2 (VC[m n]) 1944mn minus 51m minus 1887n + 1798
ABCve
(VC[m n]) 634324
1113970
1113888 1113889mn +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
+ 227208
1113970
+ 330252
1113970
1113888
+
32288
1113970
+ 833306
1113970
minus 1534324
1113970
1113889m +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
1113888
+ 227208
1113970
+ 330252
1113970
+
32288
1113970
+ 233306
1113970
minus 1534324
1113970
1113889n +
1032
1113970
+ 21455
1113970
1113888
+ 31460
1113970
minus 41884
1113970
+ 21572
1113970
+ 219110
1113970
+ 220121
1113970
minus 1021130
1113970
+ 222117
1113970
+ 223154
1113970
+ 220120
1113970
minus 1024168
1113970 22112
1113970
minus 628121
1113970
+ 225182
1113970
minus 827208
1113970
+ 225176
1113970
+226187
1113970
+ 229238
1113970
minus 1430252
1113970
minus 332288
1113970
minus 1033306
1113970
+
26180
1113970
+ 3734324
1113970
1113889
GAve
(VC[m n]) 12
324
radic
36mn +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
30+4
208
radic
29+6
252
radic
321113888
+2
288
radic
34+16
306
radic
35minus30
324
radic
361113889m +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
301113888
+4
208
radic
29+6
252
radic
32+2
288
radic
34+4
306
radic
35minus30
324
radic
361113889n +
232
radic
12+4
55
radic
161113888
+6
60
radic
16minus8
84
radic
20+4
72
radic
17+4
110
radic
21+4
121
radic
22minus20
130
radic
23+4
117
radic
22+4
154
radic
25
+4
120
radic
22minus20
168
radic
26+2
112
radic
22minus12
121
radic
30+4
182
radic
27minus16
208
radic
29+4
176
radic
27
+4
187
radic
28+4
238
radic
31minus28
252
radic
32minus6
288
radic
34minus20
306
radic
35+2
180
radic
28+74
324
radic
36⎞⎠
Hve
(VC[m n]) 13
mn +1097490593929469607440
m +39532069247643760
n +801297510323950023374300
(3a)
χve(Z) mn +
120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +835
radic minus1536
radic1113888 1113889m +120
radic1113888
+223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +235
radic minus1536
radic 1113889n +112
radic +216
radic +316
radic1113888
minus420
radic +217
radic +221
radic +222
radic minus1023
radic +222
radic +225
radic minus1026
radic +122
radic minus630
radic +227
radic
4 Journal of Chemistry
minus829
radic +227
radic +228
radic +231
radic minus1432
radic minus334
radic minus1035
radic +128
radic +3736
radic 1113889
Rve
(VC[m n]) 6324
radic mn +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic +1288
radic1113888
+8306
radic minus15324
radic 1113889m +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic1113888
+1288
radic +2306
radic minus15324
radic 1113889n +132
radic +255
radic +360
radic minus472
radic +2110
radic +2121
radic1113888
minus484
radic minus10130
radic +2117
radic +2154
radic minus10168
radic +1112
radic +6221
radic +2182
radic minus8208
radic
+2176
radic +2187
radic +2238
radic minus14252
radic minus3288
radic minus10300
radic +1180
radic +37324
radic 1113889 (3b)
Proof To compute the ve degree-based indices we need tofind the edge partition of E(VC[m n]) based on the vedegree of end vertices of each edge is partition is
presented in Table 3 Now using the values from Table 3 andthe definition of ve degree indices we get
Mβve1 (VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v)( 1113857
(12) E11113868111386811138681113868
1113868111386811138681113868 +(16) E21113868111386811138681113868
1113868111386811138681113868 +(16) E31113868111386811138681113868
1113868111386811138681113868 +(20) E41113868111386811138681113868
1113868111386811138681113868 +(17) E51113868111386811138681113868
1113868111386811138681113868 +(21) E61113868111386811138681113868
1113868111386811138681113868
+(22) E71113868111386811138681113868
1113868111386811138681113868 +(23) E81113868111386811138681113868
1113868111386811138681113868 +(22) E91113868111386811138681113868
1113868111386811138681113868 +(25) E101113868111386811138681113868
1113868111386811138681113868 +(22) E111113868111386811138681113868
1113868111386811138681113868 +(26) E121113868111386811138681113868
1113868111386811138681113868 +(22) E131113868111386811138681113868
1113868111386811138681113868
+(30) E141113868111386811138681113868
1113868111386811138681113868 +(27) E151113868111386811138681113868
1113868111386811138681113868 +(29) E161113868111386811138681113868
1113868111386811138681113868 +(27) E171113868111386811138681113868
1113868111386811138681113868 +(28) E181113868111386811138681113868
1113868111386811138681113868
+(31) E191113868111386811138681113868
1113868111386811138681113868 +(32) E201113868111386811138681113868
1113868111386811138681113868 +(34) E211113868111386811138681113868
1113868111386811138681113868 +(35) E221113868111386811138681113868
1113868111386811138681113868
+(28) E231113868111386811138681113868
1113868111386811138681113868 +(36) E241113868111386811138681113868
1113868111386811138681113868
(12)(1) +(16)(2) +(16)(3) +(20)(m + n minus 4) +(17)(2) +(21)(2) +(22)(2)
+(23)(2m + 2n minus 10) +(22)(2) +(25)(2) +(22)(2) +(26)(2m + 2n minus 10)
+(22)(1) +(30)(m + n minus 6) +(27)(2) +(29)(2m + 2n minus 8) +(27)(2) +(28)(2)
+(31)(2) +(32)(3m + 3n minus 14) +(34)(m + n minus 3) +(35)(8m + 2n minus 10)
+(28)(1) +(36)(6mn minus 15m minus 15n + 37)
216mn + 76m + 20n + 54
Mβve2 (VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) times dve(v)( 1113857
(32) E11113868111386811138681113868
1113868111386811138681113868 +(55) E21113868111386811138681113868
1113868111386811138681113868 +(60) E31113868111386811138681113868
1113868111386811138681113868 +(84) E41113868111386811138681113868
1113868111386811138681113868 +(72) E51113868111386811138681113868
1113868111386811138681113868 +(110) E61113868111386811138681113868
1113868111386811138681113868
+(168) E121113868111386811138681113868
1113868111386811138681113868 +(112) E131113868111386811138681113868
1113868111386811138681113868 +(121) E71113868111386811138681113868
1113868111386811138681113868 +(130) E81113868111386811138681113868
1113868111386811138681113868 +(117) E91113868111386811138681113868
1113868111386811138681113868
+(154) E101113868111386811138681113868
1113868111386811138681113868 +(120) E111113868111386811138681113868
1113868111386811138681113868 +(121) E141113868111386811138681113868
1113868111386811138681113868 +(182) E151113868111386811138681113868
1113868111386811138681113868 +(208) E161113868111386811138681113868
1113868111386811138681113868
+(176) E171113868111386811138681113868
1113868111386811138681113868 +(187) E181113868111386811138681113868
1113868111386811138681113868 +(238) E191113868111386811138681113868
1113868111386811138681113868 +(252) E201113868111386811138681113868
1113868111386811138681113868 +(288) E211113868111386811138681113868
1113868111386811138681113868
Journal of Chemistry 5
+(306) E221113868111386811138681113868
1113868111386811138681113868 +(180) E231113868111386811138681113868
1113868111386811138681113868 +(324) E241113868111386811138681113868
1113868111386811138681113868
(32)(1) +(55)(2) +(60)(3) +(84)(m + n minus 4) +(72)(2) +(110)(2) +(121)(2)
+(130)(2m + 2n minus 10) +(117)(2) +(154)(2) +(120)(2) +(168)(2m + 2n minus 10)
+(112)(1) +(121)(m + n minus 6) +(182)(2) +(208)(2m + 2n minus 8) +(176)(2)
+(187)(2) +(238)(2) +(252)(3m + 3n minus 14) +(288)(m + n minus 3)
+(306)(8m + 2n minus 10) +(180)(1) +(324)(6mn minus 15m minus 15n + 37)
1944mn minus 51m minus 1887n + 1798 (4)
ABCve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v) minus 2
dve(u) times dve(v)( 1113857
1113971
1032
1113970
1113888 1113889 E11113868111386811138681113868
1113868111386811138681113868 +
1455
1113970
1113888 1113889 E21113868111386811138681113868
1113868111386811138681113868 +
1460
1113970
1113888 1113889 E31113868111386811138681113868
1113868111386811138681113868 +
1884
1113970
1113888 1113889 E41113868111386811138681113868
1113868111386811138681113868 +
21130
1113970
1113888 1113889 E81113868111386811138681113868
1113868111386811138681113868
+
1572
1113970
1113888 1113889 E51113868111386811138681113868
1113868111386811138681113868 +
19110
1113970
1113888 1113889 E61113868111386811138681113868
1113868111386811138681113868 +
20121
1113970
1113888 1113889 E71113868111386811138681113868
1113868111386811138681113868 +
22117
1113970
1113888 1113889 E91113868111386811138681113868
1113868111386811138681113868
+
23154
1113970
1113888 1113889 E101113868111386811138681113868
1113868111386811138681113868 +
20120
1113970
1113888 1113889 E111113868111386811138681113868
1113868111386811138681113868 +
24168
1113970
1113888 1113889 E121113868111386811138681113868
1113868111386811138681113868 +
22112
1113970
1113888 1113889 E131113868111386811138681113868
1113868111386811138681113868
+
28121
1113970
1113888 1113889 E141113868111386811138681113868
1113868111386811138681113868 +
25182
1113970
1113888 1113889 E151113868111386811138681113868
1113868111386811138681113868 +
27208
1113970
1113888 1113889 E161113868111386811138681113868
1113868111386811138681113868 +
25176
1113970
1113888 1113889 E171113868111386811138681113868
1113868111386811138681113868
+
26187
1113970
1113888 1113889 E181113868111386811138681113868
1113868111386811138681113868 +
29238
1113970
1113888 1113889 E191113868111386811138681113868
1113868111386811138681113868 +
30252
1113970
1113888 1113889 E201113868111386811138681113868
1113868111386811138681113868 +
32288
1113970
1113888 1113889 E211113868111386811138681113868
1113868111386811138681113868
+
33306
1113970
1113888 1113889 E221113868111386811138681113868
1113868111386811138681113868 +
26180
1113970
1113888 1113889 E231113868111386811138681113868
1113868111386811138681113868 +
34324
1113970
1113888 1113889 E241113868111386811138681113868
1113868111386811138681113868
634324
1113970
1113888 1113889mn +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
+ 227208
1113970
+ 330252
1113970
1113888
Table 3 Edge Partition of vanadium carbide
Edge (dve(u) dve(v)) Frequency
E1 (4 8) 1E2 (5 11) 2E3 (6 10) 3E4 (6 14) m + n minus 4E5 (9 8) 2E6 (10 11) 2E7 (11 11) 2E8 (10 13) 2m + 2n minus 10E9 (9 13) 2E10 (11 14) 2E11 (12 10) 2E12 (12 14) 2m + 2n minus 10E13 (8 14) 1E14 (17 13) m + n minus 6E15 (14 13) 2E16 (16 13) 2m + 2n minus 8E17 (16 11) 2E18 (17 11) 2E19 (17 14) 2E20 (18 14) 3m + 3n minus 14E21 (16 18) m + n minus 3E22 (17 18) 2m + 2n minus 10E23 (18 10) 1E24 (18 18) 6mn minus 15m minus 15n + 37
6 Journal of Chemistry
+
32288
1113970
+ 833306
1113970
minus 1534324
1113970
1113889m +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
1113888
+ 227208
1113970
+ 330252
1113970
+
32288
1113970
+ 233306
1113970
minus 1534324
1113970
1113889n +
1032
1113970
+ 21455
1113970
1113888
+ 31460
1113970
minus 41884
1113970
+ 21572
1113970
+ 219110
1113970
+ 220121
1113970
minus 1021130
1113970
+ 222117
1113970
+ 223154
1113970
+ 220120
1113970
minus 1024168
1113970
+
22112
1113970
minus 628121
1113970
+ 225182
1113970
minus 827208
1113970
+ 225176
1113970
+ 226187
1113970
+ 229238
1113970
minus 1430252
1113970
minus 332288
1113970
minus 1033306
1113970
+
26180
1113970
+ 3734324
1113970
1113889 (5a)
GAve(VC[m n]) 1113944
uvisinE(VC[mn])
2dve(u) times dve(v)
1113968
dve(u) + dve(v)( 1113857
2
32
radic
121113888 1113889 E1
11138681113868111386811138681113868111386811138681113868 +
255
radic
161113888 1113889 E2
11138681113868111386811138681113868111386811138681113868 +
260
radic
161113888 1113889 E3
11138681113868111386811138681113868111386811138681113868 +
284
radic
201113888 1113889 E4
11138681113868111386811138681113868111386811138681113868 +
272
radic
171113888 1113889 E5
11138681113868111386811138681113868111386811138681113868
+2
110
radic
211113888 1113889 E6
11138681113868111386811138681113868111386811138681113868 +
2121
radic
221113888 1113889 E7
11138681113868111386811138681113868111386811138681113868 +
2130
radic
231113888 1113889 E8
11138681113868111386811138681113868111386811138681113868 +
2117
radic
221113888 1113889 E9
11138681113868111386811138681113868111386811138681113868
+2
154
radic
251113888 1113889 E10
11138681113868111386811138681113868111386811138681113868 +
2120
radic
221113888 1113889 E11
11138681113868111386811138681113868111386811138681113868 +
2168
radic
261113888 1113889 E12
11138681113868111386811138681113868111386811138681113868 +
2112
radic
221113888 1113889 E13
11138681113868111386811138681113868111386811138681113868
+2
121
radic
301113888 1113889 E14
11138681113868111386811138681113868111386811138681113868 +
2182
radic
271113888 1113889 E15
11138681113868111386811138681113868111386811138681113868 +
2208
radic
291113888 1113889 E16
11138681113868111386811138681113868111386811138681113868 +
2176
radic
271113888 1113889 E17
11138681113868111386811138681113868111386811138681113868
+2
187
radic
281113888 1113889 E18
11138681113868111386811138681113868111386811138681113868 +
2238
radic
311113888 1113889 E19
11138681113868111386811138681113868111386811138681113868 +
2252
radic
321113888 1113889 E20
11138681113868111386811138681113868111386811138681113868 +
2288
radic
341113888 1113889 E21
11138681113868111386811138681113868111386811138681113868
+2
306
radic
351113888 1113889 E22
11138681113868111386811138681113868111386811138681113868 +
2180
radic
281113888 1113889 E23
11138681113868111386811138681113868111386811138681113868 +
2324
radic
361113888 1113889 E24
11138681113868111386811138681113868111386811138681113868
12
324
radic
36mn +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
30+4
208
radic
29+6
252
radic
321113888
+2
288
radic
34+16
306
radic
35minus30
324
radic
361113889m +
284
radic
201113888 +
4130
radic
23+4
168
radic
26+2
121
radic
30
+4
208
radic
29+6
252
radic
32+2
288
radic
34+4
306
radic
35minus30
324
radic
361113889n +
232
radic
12+4
55
radic
161113888
+6
60
radic
16minus8
84
radic
20+4
72
radic
17+4
110
radic
21+4
121
radic
22minus20
130
radic
23+4
117
radic
22+4
154
radic
25
+4
120
radic
22minus20
168
radic
26+2
112
radic
22minus12
121
radic
30+4
182
radic
27minus16
208
radic
29+4
176
radic
27
+4
187
radic
28+4
238
radic
31minus28
252
radic
32minus6
288
radic
34minus20
306
radic
35+2
180
radic
28+74
324
radic
361113889
(5b)
Hve
(VC[m n]) 1113944uvisinE(VC[mn])
2dve(u) + dve(v)
212
1113874 1113875 E11113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E21113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E31113868111386811138681113868
1113868111386811138681113868 +220
1113874 1113875 E41113868111386811138681113868
1113868111386811138681113868 +217
1113874 1113875 E51113868111386811138681113868
1113868111386811138681113868 +221
1113874 1113875 E61113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E71113868111386811138681113868
1113868111386811138681113868 +223
1113874 1113875 E81113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E91113868111386811138681113868
1113868111386811138681113868 +225
1113874 1113875 E101113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E111113868111386811138681113868
1113868111386811138681113868 +226
1113874 1113875 E121113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E131113868111386811138681113868
1113868111386811138681113868 +230
1113874 1113875 E141113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E151113868111386811138681113868
1113868111386811138681113868 +229
1113874 1113875 E161113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E171113868111386811138681113868
1113868111386811138681113868
Journal of Chemistry 7
+228
1113874 1113875 E181113868111386811138681113868
1113868111386811138681113868 +231
1113874 1113875 E191113868111386811138681113868
1113868111386811138681113868 +232
1113874 1113875 E201113868111386811138681113868
1113868111386811138681113868 +234
1113874 1113875 E211113868111386811138681113868
1113868111386811138681113868 +235
1113874 1113875 E221113868111386811138681113868
1113868111386811138681113868
+228
1113874 1113875 E231113868111386811138681113868
1113868111386811138681113868 +236
1113874 1113875 E241113868111386811138681113868
1113868111386811138681113868
13
mn +1097490593929469607440
m +39532069247643760
n +801297510323950023374300
(6a)
χve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v)( 1113857minus 12
(12)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(20)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(17)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(21)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(23)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E91113868111386811138681113868
1113868111386811138681113868 +(25)minus 12
E101113868111386811138681113868
1113868111386811138681113868
+(22)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(26)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E131113868111386811138681113868
1113868111386811138681113868 +(30)minus 12
E141113868111386811138681113868
1113868111386811138681113868
+(27)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(29)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(27)minus 12
E171113868111386811138681113868
1113868111386811138681113868 +(28)minus 12
E181113868111386811138681113868
1113868111386811138681113868
+(31)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(32)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(34)minus 12
E211113868111386811138681113868
1113868111386811138681113868 +(35)minus 12
E221113868111386811138681113868
1113868111386811138681113868
+(28)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(36)minus 12
E241113868111386811138681113868
1113868111386811138681113868
mn +120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +835
radic minus1536
radic1113888 1113889m
+120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +235
radic minus1536
radic1113888 1113889n
+112
radic +216
radic +316
radic minus420
radic +217
radic +221
radic +222
radic minus1023
radic +222
radic +225
radic1113888
minus1026
radic +122
radic minus630
radic +227
radic minus829
radic +227
radic +228
radic +231
radic minus1432
radic minus334
radic
minus1035
radic +128
radic +3736
radic 1113889
(6b)
Rve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) times dve(v)( 1113857minus 12
(32)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(55)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(60)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(84)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(72)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(110)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(121)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(130)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(117)minus 12
E91113868111386811138681113868
1113868111386811138681113868
+(154)minus 12
E101113868111386811138681113868
1113868111386811138681113868 +(120)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(168)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(112)minus 12
E131113868111386811138681113868
1113868111386811138681113868
+(121)minus 12
E141113868111386811138681113868
1113868111386811138681113868 +(182)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(208)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(176)minus 12
E171113868111386811138681113868
1113868111386811138681113868
+(187)minus 12
E181113868111386811138681113868
1113868111386811138681113868 +(238)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(252)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(288)minus 12
E211113868111386811138681113868
1113868111386811138681113868
+(306)minus 12
E221113868111386811138681113868
1113868111386811138681113868 +(180)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(324)minus 12
E241113868111386811138681113868
1113868111386811138681113868
6324
radic mn +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic +1288
radic1113888
+8306
radic minus15324
radic 1113889m +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic1113888
+1288
radic +2306
radic minus15324
radic 1113889n +132
radic +255
radic +360
radic minus472
radic +2110
radic1113888
+2121
radic minus484
radic minus10130
radic +2117
radic +2154
radic minus10168
radic +1112
radic +6221
radic
+2182
radic minus8208
radic +2176
radic +2187
radic +2238
radic minus14252
radic minus3288
radic minus10300
radic
+1180
radic +37324
radic 1113889
(7)
8 Journal of Chemistry
4 Numerical Results and Discussion
Topological indices are used as vital tools for the analysisof chemicals given the essential topology of chemicalstructures Zagreb-type indices are used to calculate thetotal πminus electronic energy of molecules [32] e Randichindex is commonly used to determine the chemicalsimilarity of molecular compounds as well as to calculate
the boiling point and Kovaz constants of molecules [33]e atom-bond connectivity index (ABC) provides a verygood correlation for calculating strain energies as well asfor the stability of linear and branched chemical structures[34] It can be seen from Table 4 and 5 and Figures 2ndash6 ofindices an increase in the value of m and n raises thevalues of topological descriptors for vanadium carbidestructure
Table 4 Numerical results of indices for vanadium carbide
[m n] Mev(H) Rev(H) Mαve1 (H) M
βve1 (H) M
βve2 (H)
[1 1] 92 0133 2 1324 2110 1804[2 2] 1026 1070 4 2732 2854 5698[3 3] 2932 2763 6 4788 4030 13 480[4 4] 5810 5212 6 7492 5638 25150[5 5] 9660 8417 7 10 844 7678 40 708[6 6] 14 482 12378 6 14 844 10150 60154[7 7] 20 276 17095 4 19 492 13 054 83 488[8 8] 27 042 22568 2 24 788 16 390 110 710[9 9] 34 780 28796 9 30 732 20158 141 820[10 10] 43 490 35781 6 37 324 24 358 176 818
Table 5 Numerical results of indices for vanadium carbide
[m n] ABCve(H) GAve(H) Hve(H) χve(H) Rve(H)
[1 1] 4707 4 10857 0 1708 8 1855 0 1031 9[2 2] 13289 6 32034 6 3240 9 6122 7 2722 3[3 3] 25759 0 65212 2 5439 6 12390 3 5079 3[4 4] 42115 7 110389 8 8305 0 20657 9 8103 0[5 5] 62359 7 167567 4 11837 0 30925 5 11793 3[6 6] 86491 0 236745 0 16035 7 43193 2 16150 3[7 7] 114509 6 317922 6 20901 1 57460 8 21174 0[8 8] 146415 5 411100 2 26433 2 73728 4 26864 3[9 9] 182208 7 516277 9 32631 9 919961 33221 3[10 10] 221889 3 633455 5 39497 3 112263 7 40245 0
14000
12000
10000
8000
6000
4000
2000
Mev
1 2 3 4 5 6 5 4 3 2 1
mn
(a)
20
15
10
5
Rev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(b)
Figure 2 3D plot of (a) Mev(VC[m n]) (b) Rev(VC[m n])
Journal of Chemistry 9
16000
14000
12000
10000
80001
6000
4000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(a)
100000
80000
60000
40000
20000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1n m
2
(b)
Figure 3 3D plot of (a) Mβve1 (VC[m n]) (b) Mβve
2 (VC[m n])
200
150
100
50
ABCv
e
1 2 3 4 5 6 7 8 910 9 8 7 6 5 4 3 2 1
mn
(a)
600
500
400
300
200
100
GAve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 4 3D plot of (a) ABCve(VC[m n]) (b) GAve(VC[m n])
353025201510
5
Hve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(a)
100
80
60
40
20
xve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 5 3D plot of (a) Hve(VC[m n]) (b) χve(VC[m n])
10 Journal of Chemistry
5 Conclusion
Graphs invariants are calculated by some well-known to-pological indices which are important tools for resemblingand forecasting the properties of chemical compounds inQSPRs and the QSARs e TI is a numerical measure thatrepresents the biological physical and chemical propertiesof molecules such as boiling melting and flickering pointmoisture and forming heat In this paper we have com-puted the ev degree and ve degree-based topological indiceswith graphical representations for the molecular structure ofvanadium carbide for a better understanding of pharma-ceutical physical chemical and biological properties
Data Availability
No data were used to support this study
Disclosure
is research was carried out as a part of employment of theauthors
Conflicts of Interest
e authors hereby declare that there are no conflicts ofinterest regarding the publication of this paper
References
[1] B Sahin and S Ediz ldquoOn ev-degree and ve-degree topo-logical indicesrdquo Iranian Journal of Mathematical Chemistryvol 9 no 4 pp 263ndash277 2018
[2] S Hosamani D Perigidad S Jamagoud Y Maled andS Gavade ldquoQSPR analysis of certain degree based topologicalindicesrdquo Journal of Statistics Applications amp Probability vol 6no 2 pp 361ndash371 2017
[3] S Ediz ldquoPredicting some physicochemical properties of oc-tane isomers a topological approach using ev-degree and ve-degree Zagreb indicesrdquo 2017 httpsuiadsabsharvardedulink_gateway2017arXiv170102859EarXiv170102859
[4] H Wiener ldquoStructural determination of paraffin boilingpointsrdquo Journal of the American Chemical Society vol 69no 1 pp 17ndash20 1947
[5] M Randic ldquoCharacterization of molecular branchingrdquoJournal of the American Chemical Society vol 97 no 23pp 6609ndash6615 1975
[6] I Gutman and N Trinajstic ldquoGraph theory and molecularorbitals Total φ-electron energy of alternant hydrocarbonsrdquoChemical Physics Letters vol 17 no 4 pp 535ndash538 1972
[7] S Ediz ldquoPredicting some physicochemical properties ofoctane isomers a topological approach using ev-degree andve-degree Zagreb indicesrdquo 2017
[8] Y-X Li A Rauf M Naeem M Ahsan Binyamin andA Aslam ldquordquoValency-based topological properties of linearhexagonal chain and hammer-like benzenoidrdquo Complexityp 2021 2021
[9] S-B Chen A Rauf M Ishtiaq M Naeem and A Aslam ldquoOnve-degree- and ev-degree-based topological properties ofcrystallographic structure of cuprite Cu2Ordquo Open Chemistryvol 19 no 1 pp 576ndash585 2021
[10] S Shirakol M Kalyanshetti M Sunilkumar and HosamanldquoQSPR analysis of certain distance based topological indicesrdquoApplied Mathematics and Nonlinear Sciences vol 4 no 2pp 371ndash386 2019
[11] S J Patel D Ng and M S Mannan ldquoQSPR flash pointprediction of solvents using topological indices for applicationin computer aided molecular designrdquo Industrial amp Engi-neering Chemistry Research vol 48 no 15 pp 7378ndash73872009
[12] J C Dearden ldquoe use of topological indices in QSAR andQSPR modelingrdquo in Advances in QSAR Modeling Challengesand Advances in Computational Chemistry and Physicspp 57ndash88 Springer Cham Switzerland 2017
[13] W Xing F Meng and R Yu ldquoA new type of vanadiumcarbide V5C3 and its hardening by tuning Fermi energyrdquoScientific Reports vol 6 no 1 pp 21794ndash21799 2016
[14] A VahidMohammadi A Hadjikhani S Shahbazmohamadiand M Beidaghi ldquoTwo-dimensional vanadium carbide(MXene) as a high-capacity cathode material for rechargeablealuminum batteriesrdquo ACS Nano vol 11 no 11pp 11135ndash11144 2017
[15] Y Guan S Jiang Y Cong et al ldquoA hydrofluoric acid-freesynthesis of 2D vanadium carbide (V2C) MXene for
70
60
50
40
30
20
10
Rve
2 4 6 8 10 12 14 12 10 8 6 4 2
mn
Figure 6 Graphical representation of Rve(VC[m n])
Journal of Chemistry 11
supercapacitor electrodesrdquo 2D Materials vol 7 no 2 ArticleID 025010 2020
[16] D Huang Y Xie D Lu et al ldquoDemonstration of a white laserwith V2C MXene-based quantum dotsrdquo Advanced Materialsvol 31 pp 1901117ndash24 2019
[17] D B West Introduction to Graph eory Vol 2 Prentice-Hall Upper Saddle River NJ USA 2001
[18] M Chellali T W Haynes S T Hedetniemi and T M LewisldquoOn ve-degrees and ev-degrees in graphsrdquo Discrete Mathe-matics vol 340 no 2 pp 31ndash38 2017
[19] A N A Koam A Ahmad and A A Ahamdini ldquoCompu-tation of vertex-edge degree based topological descriptors forhex-derived networksrdquo IEEE Access 2021
[20] E A Refaee and A Ahmad ldquoA study of hexagon star networkwith vertex-edge-based topological descriptorsrdquo Complexityvol 2021 2021
[21] A Ahmad ldquoComparative study of ve-degree and ev-degreetopological descriptors for benzene ring embedded in P-Type-Surface in 2D networkrdquo Polycyclic Aromatic Compoundspp 1ndash10 2020
[22] J Zhang M K Siddiqui A Rauf and M Ishtiaq ldquoOn ve-degree and ev-degree based topological properties of singlewalled titanium dioxide nanotuberdquo Journal of Cluster Sciencepp 1ndash12 2020
[23] B Horoldagva K Ch Das and T-A Selenge ldquoOn ve-Degreeand ev-Degree of Graphsrdquo Discrete Optimization vol 31pp 1ndash7 2019
[24] Te-H Fang S-R Jian and D-S Chuu ldquoNanomechanicalproperties of TiC TiN and TiCN thin films using scanningprobe microscopy and nanoindentationrdquo Applied SurfaceScience vol 228 no 1ndash4 pp 365ndash372 2004
[25] H G Prengel W R Pfouts and A T Santhanam ldquoState ofthe art in hard coatings for carbide cutting toolsrdquo Surface andCoatings Technology vol 102 no 3 pp 183ndash190 1998
[26] K H Lo F T Cheng C T Kwok and H Chung ManldquoMprovement of cavitation erosion resistance of AISI 316stainless steel by laser surface alloying using fineWC powderrdquoSurface and Coatings Technology vol 165 no 3 pp 258ndash2672003
[27] B Chicco W E Borbidge and E Summerville ldquoExperi-mental study of vanadium carbide and carbonitride coatingsrdquoMaterials Science and Engineering A vol 266 no 1-2pp 62ndash72 1999
[28] S A Hassanzadeh-Tabrizi ldquoHoma Hosseini Badr and SaraAlizadeh rdquoIn situ synthesis of vanadium carbide-coppernanocomposite by a modified mechanochemical combustionmethodrdquo Ceramics International vol 42 no 8pp 9371ndash9374 2016
[29] D Ferro J V Rau A Generosi V Rossi Albertini A Latiniand S M Barinov ldquoElectron beam deposited VC and NbCthin films on titanium hardness and energy-dispersive X-raydiffraction studyrdquo Surface and Coatings Technology vol 202no 10 pp 2162ndash2168 2008
[30] L BWang Z F Chen Y Zhang andW PWu InternationalJournal of Refractory Metals and Hard Materials p 20042009
[31] A Aouni P Weisbecker T Huu Loi and E Bauer-GrosseldquoSearch for new materials in sputtered V1-xCx filmsrdquo inSolid Films vol 469 pp 315ndash321 2004
[32] I Gutman B Ruscic N Trinajstic and C F Wilcox JrldquoGraph theory and molecular orbitals XII Acyclic polyenesrdquoe Journal of Chemical Physics vol 62 no 9 pp 3399ndash34051975
[33] N Nikolova and J Jaworska ldquoApproaches to measurechemical similarityndasha reviewrdquo QSAR amp Combinatorial Sci-ence vol 22 no 9-10 pp 1006ndash1026 2003
[34] E Estrada L Torres L Rodriguez and I Gutman ldquoAn atom-bond connectivity index modelling the enthalpy of formationof alkanesrdquo 1998
12 Journal of Chemistry
minus829
radic +227
radic +228
radic +231
radic minus1432
radic minus334
radic minus1035
radic +128
radic +3736
radic 1113889
Rve
(VC[m n]) 6324
radic mn +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic +1288
radic1113888
+8306
radic minus15324
radic 1113889m +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic1113888
+1288
radic +2306
radic minus15324
radic 1113889n +132
radic +255
radic +360
radic minus472
radic +2110
radic +2121
radic1113888
minus484
radic minus10130
radic +2117
radic +2154
radic minus10168
radic +1112
radic +6221
radic +2182
radic minus8208
radic
+2176
radic +2187
radic +2238
radic minus14252
radic minus3288
radic minus10300
radic +1180
radic +37324
radic 1113889 (3b)
Proof To compute the ve degree-based indices we need tofind the edge partition of E(VC[m n]) based on the vedegree of end vertices of each edge is partition is
presented in Table 3 Now using the values from Table 3 andthe definition of ve degree indices we get
Mβve1 (VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v)( 1113857
(12) E11113868111386811138681113868
1113868111386811138681113868 +(16) E21113868111386811138681113868
1113868111386811138681113868 +(16) E31113868111386811138681113868
1113868111386811138681113868 +(20) E41113868111386811138681113868
1113868111386811138681113868 +(17) E51113868111386811138681113868
1113868111386811138681113868 +(21) E61113868111386811138681113868
1113868111386811138681113868
+(22) E71113868111386811138681113868
1113868111386811138681113868 +(23) E81113868111386811138681113868
1113868111386811138681113868 +(22) E91113868111386811138681113868
1113868111386811138681113868 +(25) E101113868111386811138681113868
1113868111386811138681113868 +(22) E111113868111386811138681113868
1113868111386811138681113868 +(26) E121113868111386811138681113868
1113868111386811138681113868 +(22) E131113868111386811138681113868
1113868111386811138681113868
+(30) E141113868111386811138681113868
1113868111386811138681113868 +(27) E151113868111386811138681113868
1113868111386811138681113868 +(29) E161113868111386811138681113868
1113868111386811138681113868 +(27) E171113868111386811138681113868
1113868111386811138681113868 +(28) E181113868111386811138681113868
1113868111386811138681113868
+(31) E191113868111386811138681113868
1113868111386811138681113868 +(32) E201113868111386811138681113868
1113868111386811138681113868 +(34) E211113868111386811138681113868
1113868111386811138681113868 +(35) E221113868111386811138681113868
1113868111386811138681113868
+(28) E231113868111386811138681113868
1113868111386811138681113868 +(36) E241113868111386811138681113868
1113868111386811138681113868
(12)(1) +(16)(2) +(16)(3) +(20)(m + n minus 4) +(17)(2) +(21)(2) +(22)(2)
+(23)(2m + 2n minus 10) +(22)(2) +(25)(2) +(22)(2) +(26)(2m + 2n minus 10)
+(22)(1) +(30)(m + n minus 6) +(27)(2) +(29)(2m + 2n minus 8) +(27)(2) +(28)(2)
+(31)(2) +(32)(3m + 3n minus 14) +(34)(m + n minus 3) +(35)(8m + 2n minus 10)
+(28)(1) +(36)(6mn minus 15m minus 15n + 37)
216mn + 76m + 20n + 54
Mβve2 (VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) times dve(v)( 1113857
(32) E11113868111386811138681113868
1113868111386811138681113868 +(55) E21113868111386811138681113868
1113868111386811138681113868 +(60) E31113868111386811138681113868
1113868111386811138681113868 +(84) E41113868111386811138681113868
1113868111386811138681113868 +(72) E51113868111386811138681113868
1113868111386811138681113868 +(110) E61113868111386811138681113868
1113868111386811138681113868
+(168) E121113868111386811138681113868
1113868111386811138681113868 +(112) E131113868111386811138681113868
1113868111386811138681113868 +(121) E71113868111386811138681113868
1113868111386811138681113868 +(130) E81113868111386811138681113868
1113868111386811138681113868 +(117) E91113868111386811138681113868
1113868111386811138681113868
+(154) E101113868111386811138681113868
1113868111386811138681113868 +(120) E111113868111386811138681113868
1113868111386811138681113868 +(121) E141113868111386811138681113868
1113868111386811138681113868 +(182) E151113868111386811138681113868
1113868111386811138681113868 +(208) E161113868111386811138681113868
1113868111386811138681113868
+(176) E171113868111386811138681113868
1113868111386811138681113868 +(187) E181113868111386811138681113868
1113868111386811138681113868 +(238) E191113868111386811138681113868
1113868111386811138681113868 +(252) E201113868111386811138681113868
1113868111386811138681113868 +(288) E211113868111386811138681113868
1113868111386811138681113868
Journal of Chemistry 5
+(306) E221113868111386811138681113868
1113868111386811138681113868 +(180) E231113868111386811138681113868
1113868111386811138681113868 +(324) E241113868111386811138681113868
1113868111386811138681113868
(32)(1) +(55)(2) +(60)(3) +(84)(m + n minus 4) +(72)(2) +(110)(2) +(121)(2)
+(130)(2m + 2n minus 10) +(117)(2) +(154)(2) +(120)(2) +(168)(2m + 2n minus 10)
+(112)(1) +(121)(m + n minus 6) +(182)(2) +(208)(2m + 2n minus 8) +(176)(2)
+(187)(2) +(238)(2) +(252)(3m + 3n minus 14) +(288)(m + n minus 3)
+(306)(8m + 2n minus 10) +(180)(1) +(324)(6mn minus 15m minus 15n + 37)
1944mn minus 51m minus 1887n + 1798 (4)
ABCve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v) minus 2
dve(u) times dve(v)( 1113857
1113971
1032
1113970
1113888 1113889 E11113868111386811138681113868
1113868111386811138681113868 +
1455
1113970
1113888 1113889 E21113868111386811138681113868
1113868111386811138681113868 +
1460
1113970
1113888 1113889 E31113868111386811138681113868
1113868111386811138681113868 +
1884
1113970
1113888 1113889 E41113868111386811138681113868
1113868111386811138681113868 +
21130
1113970
1113888 1113889 E81113868111386811138681113868
1113868111386811138681113868
+
1572
1113970
1113888 1113889 E51113868111386811138681113868
1113868111386811138681113868 +
19110
1113970
1113888 1113889 E61113868111386811138681113868
1113868111386811138681113868 +
20121
1113970
1113888 1113889 E71113868111386811138681113868
1113868111386811138681113868 +
22117
1113970
1113888 1113889 E91113868111386811138681113868
1113868111386811138681113868
+
23154
1113970
1113888 1113889 E101113868111386811138681113868
1113868111386811138681113868 +
20120
1113970
1113888 1113889 E111113868111386811138681113868
1113868111386811138681113868 +
24168
1113970
1113888 1113889 E121113868111386811138681113868
1113868111386811138681113868 +
22112
1113970
1113888 1113889 E131113868111386811138681113868
1113868111386811138681113868
+
28121
1113970
1113888 1113889 E141113868111386811138681113868
1113868111386811138681113868 +
25182
1113970
1113888 1113889 E151113868111386811138681113868
1113868111386811138681113868 +
27208
1113970
1113888 1113889 E161113868111386811138681113868
1113868111386811138681113868 +
25176
1113970
1113888 1113889 E171113868111386811138681113868
1113868111386811138681113868
+
26187
1113970
1113888 1113889 E181113868111386811138681113868
1113868111386811138681113868 +
29238
1113970
1113888 1113889 E191113868111386811138681113868
1113868111386811138681113868 +
30252
1113970
1113888 1113889 E201113868111386811138681113868
1113868111386811138681113868 +
32288
1113970
1113888 1113889 E211113868111386811138681113868
1113868111386811138681113868
+
33306
1113970
1113888 1113889 E221113868111386811138681113868
1113868111386811138681113868 +
26180
1113970
1113888 1113889 E231113868111386811138681113868
1113868111386811138681113868 +
34324
1113970
1113888 1113889 E241113868111386811138681113868
1113868111386811138681113868
634324
1113970
1113888 1113889mn +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
+ 227208
1113970
+ 330252
1113970
1113888
Table 3 Edge Partition of vanadium carbide
Edge (dve(u) dve(v)) Frequency
E1 (4 8) 1E2 (5 11) 2E3 (6 10) 3E4 (6 14) m + n minus 4E5 (9 8) 2E6 (10 11) 2E7 (11 11) 2E8 (10 13) 2m + 2n minus 10E9 (9 13) 2E10 (11 14) 2E11 (12 10) 2E12 (12 14) 2m + 2n minus 10E13 (8 14) 1E14 (17 13) m + n minus 6E15 (14 13) 2E16 (16 13) 2m + 2n minus 8E17 (16 11) 2E18 (17 11) 2E19 (17 14) 2E20 (18 14) 3m + 3n minus 14E21 (16 18) m + n minus 3E22 (17 18) 2m + 2n minus 10E23 (18 10) 1E24 (18 18) 6mn minus 15m minus 15n + 37
6 Journal of Chemistry
+
32288
1113970
+ 833306
1113970
minus 1534324
1113970
1113889m +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
1113888
+ 227208
1113970
+ 330252
1113970
+
32288
1113970
+ 233306
1113970
minus 1534324
1113970
1113889n +
1032
1113970
+ 21455
1113970
1113888
+ 31460
1113970
minus 41884
1113970
+ 21572
1113970
+ 219110
1113970
+ 220121
1113970
minus 1021130
1113970
+ 222117
1113970
+ 223154
1113970
+ 220120
1113970
minus 1024168
1113970
+
22112
1113970
minus 628121
1113970
+ 225182
1113970
minus 827208
1113970
+ 225176
1113970
+ 226187
1113970
+ 229238
1113970
minus 1430252
1113970
minus 332288
1113970
minus 1033306
1113970
+
26180
1113970
+ 3734324
1113970
1113889 (5a)
GAve(VC[m n]) 1113944
uvisinE(VC[mn])
2dve(u) times dve(v)
1113968
dve(u) + dve(v)( 1113857
2
32
radic
121113888 1113889 E1
11138681113868111386811138681113868111386811138681113868 +
255
radic
161113888 1113889 E2
11138681113868111386811138681113868111386811138681113868 +
260
radic
161113888 1113889 E3
11138681113868111386811138681113868111386811138681113868 +
284
radic
201113888 1113889 E4
11138681113868111386811138681113868111386811138681113868 +
272
radic
171113888 1113889 E5
11138681113868111386811138681113868111386811138681113868
+2
110
radic
211113888 1113889 E6
11138681113868111386811138681113868111386811138681113868 +
2121
radic
221113888 1113889 E7
11138681113868111386811138681113868111386811138681113868 +
2130
radic
231113888 1113889 E8
11138681113868111386811138681113868111386811138681113868 +
2117
radic
221113888 1113889 E9
11138681113868111386811138681113868111386811138681113868
+2
154
radic
251113888 1113889 E10
11138681113868111386811138681113868111386811138681113868 +
2120
radic
221113888 1113889 E11
11138681113868111386811138681113868111386811138681113868 +
2168
radic
261113888 1113889 E12
11138681113868111386811138681113868111386811138681113868 +
2112
radic
221113888 1113889 E13
11138681113868111386811138681113868111386811138681113868
+2
121
radic
301113888 1113889 E14
11138681113868111386811138681113868111386811138681113868 +
2182
radic
271113888 1113889 E15
11138681113868111386811138681113868111386811138681113868 +
2208
radic
291113888 1113889 E16
11138681113868111386811138681113868111386811138681113868 +
2176
radic
271113888 1113889 E17
11138681113868111386811138681113868111386811138681113868
+2
187
radic
281113888 1113889 E18
11138681113868111386811138681113868111386811138681113868 +
2238
radic
311113888 1113889 E19
11138681113868111386811138681113868111386811138681113868 +
2252
radic
321113888 1113889 E20
11138681113868111386811138681113868111386811138681113868 +
2288
radic
341113888 1113889 E21
11138681113868111386811138681113868111386811138681113868
+2
306
radic
351113888 1113889 E22
11138681113868111386811138681113868111386811138681113868 +
2180
radic
281113888 1113889 E23
11138681113868111386811138681113868111386811138681113868 +
2324
radic
361113888 1113889 E24
11138681113868111386811138681113868111386811138681113868
12
324
radic
36mn +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
30+4
208
radic
29+6
252
radic
321113888
+2
288
radic
34+16
306
radic
35minus30
324
radic
361113889m +
284
radic
201113888 +
4130
radic
23+4
168
radic
26+2
121
radic
30
+4
208
radic
29+6
252
radic
32+2
288
radic
34+4
306
radic
35minus30
324
radic
361113889n +
232
radic
12+4
55
radic
161113888
+6
60
radic
16minus8
84
radic
20+4
72
radic
17+4
110
radic
21+4
121
radic
22minus20
130
radic
23+4
117
radic
22+4
154
radic
25
+4
120
radic
22minus20
168
radic
26+2
112
radic
22minus12
121
radic
30+4
182
radic
27minus16
208
radic
29+4
176
radic
27
+4
187
radic
28+4
238
radic
31minus28
252
radic
32minus6
288
radic
34minus20
306
radic
35+2
180
radic
28+74
324
radic
361113889
(5b)
Hve
(VC[m n]) 1113944uvisinE(VC[mn])
2dve(u) + dve(v)
212
1113874 1113875 E11113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E21113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E31113868111386811138681113868
1113868111386811138681113868 +220
1113874 1113875 E41113868111386811138681113868
1113868111386811138681113868 +217
1113874 1113875 E51113868111386811138681113868
1113868111386811138681113868 +221
1113874 1113875 E61113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E71113868111386811138681113868
1113868111386811138681113868 +223
1113874 1113875 E81113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E91113868111386811138681113868
1113868111386811138681113868 +225
1113874 1113875 E101113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E111113868111386811138681113868
1113868111386811138681113868 +226
1113874 1113875 E121113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E131113868111386811138681113868
1113868111386811138681113868 +230
1113874 1113875 E141113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E151113868111386811138681113868
1113868111386811138681113868 +229
1113874 1113875 E161113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E171113868111386811138681113868
1113868111386811138681113868
Journal of Chemistry 7
+228
1113874 1113875 E181113868111386811138681113868
1113868111386811138681113868 +231
1113874 1113875 E191113868111386811138681113868
1113868111386811138681113868 +232
1113874 1113875 E201113868111386811138681113868
1113868111386811138681113868 +234
1113874 1113875 E211113868111386811138681113868
1113868111386811138681113868 +235
1113874 1113875 E221113868111386811138681113868
1113868111386811138681113868
+228
1113874 1113875 E231113868111386811138681113868
1113868111386811138681113868 +236
1113874 1113875 E241113868111386811138681113868
1113868111386811138681113868
13
mn +1097490593929469607440
m +39532069247643760
n +801297510323950023374300
(6a)
χve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v)( 1113857minus 12
(12)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(20)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(17)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(21)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(23)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E91113868111386811138681113868
1113868111386811138681113868 +(25)minus 12
E101113868111386811138681113868
1113868111386811138681113868
+(22)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(26)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E131113868111386811138681113868
1113868111386811138681113868 +(30)minus 12
E141113868111386811138681113868
1113868111386811138681113868
+(27)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(29)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(27)minus 12
E171113868111386811138681113868
1113868111386811138681113868 +(28)minus 12
E181113868111386811138681113868
1113868111386811138681113868
+(31)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(32)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(34)minus 12
E211113868111386811138681113868
1113868111386811138681113868 +(35)minus 12
E221113868111386811138681113868
1113868111386811138681113868
+(28)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(36)minus 12
E241113868111386811138681113868
1113868111386811138681113868
mn +120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +835
radic minus1536
radic1113888 1113889m
+120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +235
radic minus1536
radic1113888 1113889n
+112
radic +216
radic +316
radic minus420
radic +217
radic +221
radic +222
radic minus1023
radic +222
radic +225
radic1113888
minus1026
radic +122
radic minus630
radic +227
radic minus829
radic +227
radic +228
radic +231
radic minus1432
radic minus334
radic
minus1035
radic +128
radic +3736
radic 1113889
(6b)
Rve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) times dve(v)( 1113857minus 12
(32)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(55)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(60)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(84)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(72)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(110)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(121)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(130)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(117)minus 12
E91113868111386811138681113868
1113868111386811138681113868
+(154)minus 12
E101113868111386811138681113868
1113868111386811138681113868 +(120)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(168)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(112)minus 12
E131113868111386811138681113868
1113868111386811138681113868
+(121)minus 12
E141113868111386811138681113868
1113868111386811138681113868 +(182)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(208)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(176)minus 12
E171113868111386811138681113868
1113868111386811138681113868
+(187)minus 12
E181113868111386811138681113868
1113868111386811138681113868 +(238)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(252)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(288)minus 12
E211113868111386811138681113868
1113868111386811138681113868
+(306)minus 12
E221113868111386811138681113868
1113868111386811138681113868 +(180)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(324)minus 12
E241113868111386811138681113868
1113868111386811138681113868
6324
radic mn +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic +1288
radic1113888
+8306
radic minus15324
radic 1113889m +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic1113888
+1288
radic +2306
radic minus15324
radic 1113889n +132
radic +255
radic +360
radic minus472
radic +2110
radic1113888
+2121
radic minus484
radic minus10130
radic +2117
radic +2154
radic minus10168
radic +1112
radic +6221
radic
+2182
radic minus8208
radic +2176
radic +2187
radic +2238
radic minus14252
radic minus3288
radic minus10300
radic
+1180
radic +37324
radic 1113889
(7)
8 Journal of Chemistry
4 Numerical Results and Discussion
Topological indices are used as vital tools for the analysisof chemicals given the essential topology of chemicalstructures Zagreb-type indices are used to calculate thetotal πminus electronic energy of molecules [32] e Randichindex is commonly used to determine the chemicalsimilarity of molecular compounds as well as to calculate
the boiling point and Kovaz constants of molecules [33]e atom-bond connectivity index (ABC) provides a verygood correlation for calculating strain energies as well asfor the stability of linear and branched chemical structures[34] It can be seen from Table 4 and 5 and Figures 2ndash6 ofindices an increase in the value of m and n raises thevalues of topological descriptors for vanadium carbidestructure
Table 4 Numerical results of indices for vanadium carbide
[m n] Mev(H) Rev(H) Mαve1 (H) M
βve1 (H) M
βve2 (H)
[1 1] 92 0133 2 1324 2110 1804[2 2] 1026 1070 4 2732 2854 5698[3 3] 2932 2763 6 4788 4030 13 480[4 4] 5810 5212 6 7492 5638 25150[5 5] 9660 8417 7 10 844 7678 40 708[6 6] 14 482 12378 6 14 844 10150 60154[7 7] 20 276 17095 4 19 492 13 054 83 488[8 8] 27 042 22568 2 24 788 16 390 110 710[9 9] 34 780 28796 9 30 732 20158 141 820[10 10] 43 490 35781 6 37 324 24 358 176 818
Table 5 Numerical results of indices for vanadium carbide
[m n] ABCve(H) GAve(H) Hve(H) χve(H) Rve(H)
[1 1] 4707 4 10857 0 1708 8 1855 0 1031 9[2 2] 13289 6 32034 6 3240 9 6122 7 2722 3[3 3] 25759 0 65212 2 5439 6 12390 3 5079 3[4 4] 42115 7 110389 8 8305 0 20657 9 8103 0[5 5] 62359 7 167567 4 11837 0 30925 5 11793 3[6 6] 86491 0 236745 0 16035 7 43193 2 16150 3[7 7] 114509 6 317922 6 20901 1 57460 8 21174 0[8 8] 146415 5 411100 2 26433 2 73728 4 26864 3[9 9] 182208 7 516277 9 32631 9 919961 33221 3[10 10] 221889 3 633455 5 39497 3 112263 7 40245 0
14000
12000
10000
8000
6000
4000
2000
Mev
1 2 3 4 5 6 5 4 3 2 1
mn
(a)
20
15
10
5
Rev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(b)
Figure 2 3D plot of (a) Mev(VC[m n]) (b) Rev(VC[m n])
Journal of Chemistry 9
16000
14000
12000
10000
80001
6000
4000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(a)
100000
80000
60000
40000
20000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1n m
2
(b)
Figure 3 3D plot of (a) Mβve1 (VC[m n]) (b) Mβve
2 (VC[m n])
200
150
100
50
ABCv
e
1 2 3 4 5 6 7 8 910 9 8 7 6 5 4 3 2 1
mn
(a)
600
500
400
300
200
100
GAve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 4 3D plot of (a) ABCve(VC[m n]) (b) GAve(VC[m n])
353025201510
5
Hve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(a)
100
80
60
40
20
xve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 5 3D plot of (a) Hve(VC[m n]) (b) χve(VC[m n])
10 Journal of Chemistry
5 Conclusion
Graphs invariants are calculated by some well-known to-pological indices which are important tools for resemblingand forecasting the properties of chemical compounds inQSPRs and the QSARs e TI is a numerical measure thatrepresents the biological physical and chemical propertiesof molecules such as boiling melting and flickering pointmoisture and forming heat In this paper we have com-puted the ev degree and ve degree-based topological indiceswith graphical representations for the molecular structure ofvanadium carbide for a better understanding of pharma-ceutical physical chemical and biological properties
Data Availability
No data were used to support this study
Disclosure
is research was carried out as a part of employment of theauthors
Conflicts of Interest
e authors hereby declare that there are no conflicts ofinterest regarding the publication of this paper
References
[1] B Sahin and S Ediz ldquoOn ev-degree and ve-degree topo-logical indicesrdquo Iranian Journal of Mathematical Chemistryvol 9 no 4 pp 263ndash277 2018
[2] S Hosamani D Perigidad S Jamagoud Y Maled andS Gavade ldquoQSPR analysis of certain degree based topologicalindicesrdquo Journal of Statistics Applications amp Probability vol 6no 2 pp 361ndash371 2017
[3] S Ediz ldquoPredicting some physicochemical properties of oc-tane isomers a topological approach using ev-degree and ve-degree Zagreb indicesrdquo 2017 httpsuiadsabsharvardedulink_gateway2017arXiv170102859EarXiv170102859
[4] H Wiener ldquoStructural determination of paraffin boilingpointsrdquo Journal of the American Chemical Society vol 69no 1 pp 17ndash20 1947
[5] M Randic ldquoCharacterization of molecular branchingrdquoJournal of the American Chemical Society vol 97 no 23pp 6609ndash6615 1975
[6] I Gutman and N Trinajstic ldquoGraph theory and molecularorbitals Total φ-electron energy of alternant hydrocarbonsrdquoChemical Physics Letters vol 17 no 4 pp 535ndash538 1972
[7] S Ediz ldquoPredicting some physicochemical properties ofoctane isomers a topological approach using ev-degree andve-degree Zagreb indicesrdquo 2017
[8] Y-X Li A Rauf M Naeem M Ahsan Binyamin andA Aslam ldquordquoValency-based topological properties of linearhexagonal chain and hammer-like benzenoidrdquo Complexityp 2021 2021
[9] S-B Chen A Rauf M Ishtiaq M Naeem and A Aslam ldquoOnve-degree- and ev-degree-based topological properties ofcrystallographic structure of cuprite Cu2Ordquo Open Chemistryvol 19 no 1 pp 576ndash585 2021
[10] S Shirakol M Kalyanshetti M Sunilkumar and HosamanldquoQSPR analysis of certain distance based topological indicesrdquoApplied Mathematics and Nonlinear Sciences vol 4 no 2pp 371ndash386 2019
[11] S J Patel D Ng and M S Mannan ldquoQSPR flash pointprediction of solvents using topological indices for applicationin computer aided molecular designrdquo Industrial amp Engi-neering Chemistry Research vol 48 no 15 pp 7378ndash73872009
[12] J C Dearden ldquoe use of topological indices in QSAR andQSPR modelingrdquo in Advances in QSAR Modeling Challengesand Advances in Computational Chemistry and Physicspp 57ndash88 Springer Cham Switzerland 2017
[13] W Xing F Meng and R Yu ldquoA new type of vanadiumcarbide V5C3 and its hardening by tuning Fermi energyrdquoScientific Reports vol 6 no 1 pp 21794ndash21799 2016
[14] A VahidMohammadi A Hadjikhani S Shahbazmohamadiand M Beidaghi ldquoTwo-dimensional vanadium carbide(MXene) as a high-capacity cathode material for rechargeablealuminum batteriesrdquo ACS Nano vol 11 no 11pp 11135ndash11144 2017
[15] Y Guan S Jiang Y Cong et al ldquoA hydrofluoric acid-freesynthesis of 2D vanadium carbide (V2C) MXene for
70
60
50
40
30
20
10
Rve
2 4 6 8 10 12 14 12 10 8 6 4 2
mn
Figure 6 Graphical representation of Rve(VC[m n])
Journal of Chemistry 11
supercapacitor electrodesrdquo 2D Materials vol 7 no 2 ArticleID 025010 2020
[16] D Huang Y Xie D Lu et al ldquoDemonstration of a white laserwith V2C MXene-based quantum dotsrdquo Advanced Materialsvol 31 pp 1901117ndash24 2019
[17] D B West Introduction to Graph eory Vol 2 Prentice-Hall Upper Saddle River NJ USA 2001
[18] M Chellali T W Haynes S T Hedetniemi and T M LewisldquoOn ve-degrees and ev-degrees in graphsrdquo Discrete Mathe-matics vol 340 no 2 pp 31ndash38 2017
[19] A N A Koam A Ahmad and A A Ahamdini ldquoCompu-tation of vertex-edge degree based topological descriptors forhex-derived networksrdquo IEEE Access 2021
[20] E A Refaee and A Ahmad ldquoA study of hexagon star networkwith vertex-edge-based topological descriptorsrdquo Complexityvol 2021 2021
[21] A Ahmad ldquoComparative study of ve-degree and ev-degreetopological descriptors for benzene ring embedded in P-Type-Surface in 2D networkrdquo Polycyclic Aromatic Compoundspp 1ndash10 2020
[22] J Zhang M K Siddiqui A Rauf and M Ishtiaq ldquoOn ve-degree and ev-degree based topological properties of singlewalled titanium dioxide nanotuberdquo Journal of Cluster Sciencepp 1ndash12 2020
[23] B Horoldagva K Ch Das and T-A Selenge ldquoOn ve-Degreeand ev-Degree of Graphsrdquo Discrete Optimization vol 31pp 1ndash7 2019
[24] Te-H Fang S-R Jian and D-S Chuu ldquoNanomechanicalproperties of TiC TiN and TiCN thin films using scanningprobe microscopy and nanoindentationrdquo Applied SurfaceScience vol 228 no 1ndash4 pp 365ndash372 2004
[25] H G Prengel W R Pfouts and A T Santhanam ldquoState ofthe art in hard coatings for carbide cutting toolsrdquo Surface andCoatings Technology vol 102 no 3 pp 183ndash190 1998
[26] K H Lo F T Cheng C T Kwok and H Chung ManldquoMprovement of cavitation erosion resistance of AISI 316stainless steel by laser surface alloying using fineWC powderrdquoSurface and Coatings Technology vol 165 no 3 pp 258ndash2672003
[27] B Chicco W E Borbidge and E Summerville ldquoExperi-mental study of vanadium carbide and carbonitride coatingsrdquoMaterials Science and Engineering A vol 266 no 1-2pp 62ndash72 1999
[28] S A Hassanzadeh-Tabrizi ldquoHoma Hosseini Badr and SaraAlizadeh rdquoIn situ synthesis of vanadium carbide-coppernanocomposite by a modified mechanochemical combustionmethodrdquo Ceramics International vol 42 no 8pp 9371ndash9374 2016
[29] D Ferro J V Rau A Generosi V Rossi Albertini A Latiniand S M Barinov ldquoElectron beam deposited VC and NbCthin films on titanium hardness and energy-dispersive X-raydiffraction studyrdquo Surface and Coatings Technology vol 202no 10 pp 2162ndash2168 2008
[30] L BWang Z F Chen Y Zhang andW PWu InternationalJournal of Refractory Metals and Hard Materials p 20042009
[31] A Aouni P Weisbecker T Huu Loi and E Bauer-GrosseldquoSearch for new materials in sputtered V1-xCx filmsrdquo inSolid Films vol 469 pp 315ndash321 2004
[32] I Gutman B Ruscic N Trinajstic and C F Wilcox JrldquoGraph theory and molecular orbitals XII Acyclic polyenesrdquoe Journal of Chemical Physics vol 62 no 9 pp 3399ndash34051975
[33] N Nikolova and J Jaworska ldquoApproaches to measurechemical similarityndasha reviewrdquo QSAR amp Combinatorial Sci-ence vol 22 no 9-10 pp 1006ndash1026 2003
[34] E Estrada L Torres L Rodriguez and I Gutman ldquoAn atom-bond connectivity index modelling the enthalpy of formationof alkanesrdquo 1998
12 Journal of Chemistry
+(306) E221113868111386811138681113868
1113868111386811138681113868 +(180) E231113868111386811138681113868
1113868111386811138681113868 +(324) E241113868111386811138681113868
1113868111386811138681113868
(32)(1) +(55)(2) +(60)(3) +(84)(m + n minus 4) +(72)(2) +(110)(2) +(121)(2)
+(130)(2m + 2n minus 10) +(117)(2) +(154)(2) +(120)(2) +(168)(2m + 2n minus 10)
+(112)(1) +(121)(m + n minus 6) +(182)(2) +(208)(2m + 2n minus 8) +(176)(2)
+(187)(2) +(238)(2) +(252)(3m + 3n minus 14) +(288)(m + n minus 3)
+(306)(8m + 2n minus 10) +(180)(1) +(324)(6mn minus 15m minus 15n + 37)
1944mn minus 51m minus 1887n + 1798 (4)
ABCve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v) minus 2
dve(u) times dve(v)( 1113857
1113971
1032
1113970
1113888 1113889 E11113868111386811138681113868
1113868111386811138681113868 +
1455
1113970
1113888 1113889 E21113868111386811138681113868
1113868111386811138681113868 +
1460
1113970
1113888 1113889 E31113868111386811138681113868
1113868111386811138681113868 +
1884
1113970
1113888 1113889 E41113868111386811138681113868
1113868111386811138681113868 +
21130
1113970
1113888 1113889 E81113868111386811138681113868
1113868111386811138681113868
+
1572
1113970
1113888 1113889 E51113868111386811138681113868
1113868111386811138681113868 +
19110
1113970
1113888 1113889 E61113868111386811138681113868
1113868111386811138681113868 +
20121
1113970
1113888 1113889 E71113868111386811138681113868
1113868111386811138681113868 +
22117
1113970
1113888 1113889 E91113868111386811138681113868
1113868111386811138681113868
+
23154
1113970
1113888 1113889 E101113868111386811138681113868
1113868111386811138681113868 +
20120
1113970
1113888 1113889 E111113868111386811138681113868
1113868111386811138681113868 +
24168
1113970
1113888 1113889 E121113868111386811138681113868
1113868111386811138681113868 +
22112
1113970
1113888 1113889 E131113868111386811138681113868
1113868111386811138681113868
+
28121
1113970
1113888 1113889 E141113868111386811138681113868
1113868111386811138681113868 +
25182
1113970
1113888 1113889 E151113868111386811138681113868
1113868111386811138681113868 +
27208
1113970
1113888 1113889 E161113868111386811138681113868
1113868111386811138681113868 +
25176
1113970
1113888 1113889 E171113868111386811138681113868
1113868111386811138681113868
+
26187
1113970
1113888 1113889 E181113868111386811138681113868
1113868111386811138681113868 +
29238
1113970
1113888 1113889 E191113868111386811138681113868
1113868111386811138681113868 +
30252
1113970
1113888 1113889 E201113868111386811138681113868
1113868111386811138681113868 +
32288
1113970
1113888 1113889 E211113868111386811138681113868
1113868111386811138681113868
+
33306
1113970
1113888 1113889 E221113868111386811138681113868
1113868111386811138681113868 +
26180
1113970
1113888 1113889 E231113868111386811138681113868
1113868111386811138681113868 +
34324
1113970
1113888 1113889 E241113868111386811138681113868
1113868111386811138681113868
634324
1113970
1113888 1113889mn +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
+ 227208
1113970
+ 330252
1113970
1113888
Table 3 Edge Partition of vanadium carbide
Edge (dve(u) dve(v)) Frequency
E1 (4 8) 1E2 (5 11) 2E3 (6 10) 3E4 (6 14) m + n minus 4E5 (9 8) 2E6 (10 11) 2E7 (11 11) 2E8 (10 13) 2m + 2n minus 10E9 (9 13) 2E10 (11 14) 2E11 (12 10) 2E12 (12 14) 2m + 2n minus 10E13 (8 14) 1E14 (17 13) m + n minus 6E15 (14 13) 2E16 (16 13) 2m + 2n minus 8E17 (16 11) 2E18 (17 11) 2E19 (17 14) 2E20 (18 14) 3m + 3n minus 14E21 (16 18) m + n minus 3E22 (17 18) 2m + 2n minus 10E23 (18 10) 1E24 (18 18) 6mn minus 15m minus 15n + 37
6 Journal of Chemistry
+
32288
1113970
+ 833306
1113970
minus 1534324
1113970
1113889m +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
1113888
+ 227208
1113970
+ 330252
1113970
+
32288
1113970
+ 233306
1113970
minus 1534324
1113970
1113889n +
1032
1113970
+ 21455
1113970
1113888
+ 31460
1113970
minus 41884
1113970
+ 21572
1113970
+ 219110
1113970
+ 220121
1113970
minus 1021130
1113970
+ 222117
1113970
+ 223154
1113970
+ 220120
1113970
minus 1024168
1113970
+
22112
1113970
minus 628121
1113970
+ 225182
1113970
minus 827208
1113970
+ 225176
1113970
+ 226187
1113970
+ 229238
1113970
minus 1430252
1113970
minus 332288
1113970
minus 1033306
1113970
+
26180
1113970
+ 3734324
1113970
1113889 (5a)
GAve(VC[m n]) 1113944
uvisinE(VC[mn])
2dve(u) times dve(v)
1113968
dve(u) + dve(v)( 1113857
2
32
radic
121113888 1113889 E1
11138681113868111386811138681113868111386811138681113868 +
255
radic
161113888 1113889 E2
11138681113868111386811138681113868111386811138681113868 +
260
radic
161113888 1113889 E3
11138681113868111386811138681113868111386811138681113868 +
284
radic
201113888 1113889 E4
11138681113868111386811138681113868111386811138681113868 +
272
radic
171113888 1113889 E5
11138681113868111386811138681113868111386811138681113868
+2
110
radic
211113888 1113889 E6
11138681113868111386811138681113868111386811138681113868 +
2121
radic
221113888 1113889 E7
11138681113868111386811138681113868111386811138681113868 +
2130
radic
231113888 1113889 E8
11138681113868111386811138681113868111386811138681113868 +
2117
radic
221113888 1113889 E9
11138681113868111386811138681113868111386811138681113868
+2
154
radic
251113888 1113889 E10
11138681113868111386811138681113868111386811138681113868 +
2120
radic
221113888 1113889 E11
11138681113868111386811138681113868111386811138681113868 +
2168
radic
261113888 1113889 E12
11138681113868111386811138681113868111386811138681113868 +
2112
radic
221113888 1113889 E13
11138681113868111386811138681113868111386811138681113868
+2
121
radic
301113888 1113889 E14
11138681113868111386811138681113868111386811138681113868 +
2182
radic
271113888 1113889 E15
11138681113868111386811138681113868111386811138681113868 +
2208
radic
291113888 1113889 E16
11138681113868111386811138681113868111386811138681113868 +
2176
radic
271113888 1113889 E17
11138681113868111386811138681113868111386811138681113868
+2
187
radic
281113888 1113889 E18
11138681113868111386811138681113868111386811138681113868 +
2238
radic
311113888 1113889 E19
11138681113868111386811138681113868111386811138681113868 +
2252
radic
321113888 1113889 E20
11138681113868111386811138681113868111386811138681113868 +
2288
radic
341113888 1113889 E21
11138681113868111386811138681113868111386811138681113868
+2
306
radic
351113888 1113889 E22
11138681113868111386811138681113868111386811138681113868 +
2180
radic
281113888 1113889 E23
11138681113868111386811138681113868111386811138681113868 +
2324
radic
361113888 1113889 E24
11138681113868111386811138681113868111386811138681113868
12
324
radic
36mn +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
30+4
208
radic
29+6
252
radic
321113888
+2
288
radic
34+16
306
radic
35minus30
324
radic
361113889m +
284
radic
201113888 +
4130
radic
23+4
168
radic
26+2
121
radic
30
+4
208
radic
29+6
252
radic
32+2
288
radic
34+4
306
radic
35minus30
324
radic
361113889n +
232
radic
12+4
55
radic
161113888
+6
60
radic
16minus8
84
radic
20+4
72
radic
17+4
110
radic
21+4
121
radic
22minus20
130
radic
23+4
117
radic
22+4
154
radic
25
+4
120
radic
22minus20
168
radic
26+2
112
radic
22minus12
121
radic
30+4
182
radic
27minus16
208
radic
29+4
176
radic
27
+4
187
radic
28+4
238
radic
31minus28
252
radic
32minus6
288
radic
34minus20
306
radic
35+2
180
radic
28+74
324
radic
361113889
(5b)
Hve
(VC[m n]) 1113944uvisinE(VC[mn])
2dve(u) + dve(v)
212
1113874 1113875 E11113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E21113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E31113868111386811138681113868
1113868111386811138681113868 +220
1113874 1113875 E41113868111386811138681113868
1113868111386811138681113868 +217
1113874 1113875 E51113868111386811138681113868
1113868111386811138681113868 +221
1113874 1113875 E61113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E71113868111386811138681113868
1113868111386811138681113868 +223
1113874 1113875 E81113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E91113868111386811138681113868
1113868111386811138681113868 +225
1113874 1113875 E101113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E111113868111386811138681113868
1113868111386811138681113868 +226
1113874 1113875 E121113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E131113868111386811138681113868
1113868111386811138681113868 +230
1113874 1113875 E141113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E151113868111386811138681113868
1113868111386811138681113868 +229
1113874 1113875 E161113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E171113868111386811138681113868
1113868111386811138681113868
Journal of Chemistry 7
+228
1113874 1113875 E181113868111386811138681113868
1113868111386811138681113868 +231
1113874 1113875 E191113868111386811138681113868
1113868111386811138681113868 +232
1113874 1113875 E201113868111386811138681113868
1113868111386811138681113868 +234
1113874 1113875 E211113868111386811138681113868
1113868111386811138681113868 +235
1113874 1113875 E221113868111386811138681113868
1113868111386811138681113868
+228
1113874 1113875 E231113868111386811138681113868
1113868111386811138681113868 +236
1113874 1113875 E241113868111386811138681113868
1113868111386811138681113868
13
mn +1097490593929469607440
m +39532069247643760
n +801297510323950023374300
(6a)
χve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v)( 1113857minus 12
(12)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(20)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(17)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(21)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(23)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E91113868111386811138681113868
1113868111386811138681113868 +(25)minus 12
E101113868111386811138681113868
1113868111386811138681113868
+(22)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(26)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E131113868111386811138681113868
1113868111386811138681113868 +(30)minus 12
E141113868111386811138681113868
1113868111386811138681113868
+(27)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(29)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(27)minus 12
E171113868111386811138681113868
1113868111386811138681113868 +(28)minus 12
E181113868111386811138681113868
1113868111386811138681113868
+(31)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(32)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(34)minus 12
E211113868111386811138681113868
1113868111386811138681113868 +(35)minus 12
E221113868111386811138681113868
1113868111386811138681113868
+(28)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(36)minus 12
E241113868111386811138681113868
1113868111386811138681113868
mn +120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +835
radic minus1536
radic1113888 1113889m
+120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +235
radic minus1536
radic1113888 1113889n
+112
radic +216
radic +316
radic minus420
radic +217
radic +221
radic +222
radic minus1023
radic +222
radic +225
radic1113888
minus1026
radic +122
radic minus630
radic +227
radic minus829
radic +227
radic +228
radic +231
radic minus1432
radic minus334
radic
minus1035
radic +128
radic +3736
radic 1113889
(6b)
Rve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) times dve(v)( 1113857minus 12
(32)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(55)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(60)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(84)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(72)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(110)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(121)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(130)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(117)minus 12
E91113868111386811138681113868
1113868111386811138681113868
+(154)minus 12
E101113868111386811138681113868
1113868111386811138681113868 +(120)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(168)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(112)minus 12
E131113868111386811138681113868
1113868111386811138681113868
+(121)minus 12
E141113868111386811138681113868
1113868111386811138681113868 +(182)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(208)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(176)minus 12
E171113868111386811138681113868
1113868111386811138681113868
+(187)minus 12
E181113868111386811138681113868
1113868111386811138681113868 +(238)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(252)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(288)minus 12
E211113868111386811138681113868
1113868111386811138681113868
+(306)minus 12
E221113868111386811138681113868
1113868111386811138681113868 +(180)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(324)minus 12
E241113868111386811138681113868
1113868111386811138681113868
6324
radic mn +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic +1288
radic1113888
+8306
radic minus15324
radic 1113889m +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic1113888
+1288
radic +2306
radic minus15324
radic 1113889n +132
radic +255
radic +360
radic minus472
radic +2110
radic1113888
+2121
radic minus484
radic minus10130
radic +2117
radic +2154
radic minus10168
radic +1112
radic +6221
radic
+2182
radic minus8208
radic +2176
radic +2187
radic +2238
radic minus14252
radic minus3288
radic minus10300
radic
+1180
radic +37324
radic 1113889
(7)
8 Journal of Chemistry
4 Numerical Results and Discussion
Topological indices are used as vital tools for the analysisof chemicals given the essential topology of chemicalstructures Zagreb-type indices are used to calculate thetotal πminus electronic energy of molecules [32] e Randichindex is commonly used to determine the chemicalsimilarity of molecular compounds as well as to calculate
the boiling point and Kovaz constants of molecules [33]e atom-bond connectivity index (ABC) provides a verygood correlation for calculating strain energies as well asfor the stability of linear and branched chemical structures[34] It can be seen from Table 4 and 5 and Figures 2ndash6 ofindices an increase in the value of m and n raises thevalues of topological descriptors for vanadium carbidestructure
Table 4 Numerical results of indices for vanadium carbide
[m n] Mev(H) Rev(H) Mαve1 (H) M
βve1 (H) M
βve2 (H)
[1 1] 92 0133 2 1324 2110 1804[2 2] 1026 1070 4 2732 2854 5698[3 3] 2932 2763 6 4788 4030 13 480[4 4] 5810 5212 6 7492 5638 25150[5 5] 9660 8417 7 10 844 7678 40 708[6 6] 14 482 12378 6 14 844 10150 60154[7 7] 20 276 17095 4 19 492 13 054 83 488[8 8] 27 042 22568 2 24 788 16 390 110 710[9 9] 34 780 28796 9 30 732 20158 141 820[10 10] 43 490 35781 6 37 324 24 358 176 818
Table 5 Numerical results of indices for vanadium carbide
[m n] ABCve(H) GAve(H) Hve(H) χve(H) Rve(H)
[1 1] 4707 4 10857 0 1708 8 1855 0 1031 9[2 2] 13289 6 32034 6 3240 9 6122 7 2722 3[3 3] 25759 0 65212 2 5439 6 12390 3 5079 3[4 4] 42115 7 110389 8 8305 0 20657 9 8103 0[5 5] 62359 7 167567 4 11837 0 30925 5 11793 3[6 6] 86491 0 236745 0 16035 7 43193 2 16150 3[7 7] 114509 6 317922 6 20901 1 57460 8 21174 0[8 8] 146415 5 411100 2 26433 2 73728 4 26864 3[9 9] 182208 7 516277 9 32631 9 919961 33221 3[10 10] 221889 3 633455 5 39497 3 112263 7 40245 0
14000
12000
10000
8000
6000
4000
2000
Mev
1 2 3 4 5 6 5 4 3 2 1
mn
(a)
20
15
10
5
Rev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(b)
Figure 2 3D plot of (a) Mev(VC[m n]) (b) Rev(VC[m n])
Journal of Chemistry 9
16000
14000
12000
10000
80001
6000
4000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(a)
100000
80000
60000
40000
20000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1n m
2
(b)
Figure 3 3D plot of (a) Mβve1 (VC[m n]) (b) Mβve
2 (VC[m n])
200
150
100
50
ABCv
e
1 2 3 4 5 6 7 8 910 9 8 7 6 5 4 3 2 1
mn
(a)
600
500
400
300
200
100
GAve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 4 3D plot of (a) ABCve(VC[m n]) (b) GAve(VC[m n])
353025201510
5
Hve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(a)
100
80
60
40
20
xve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 5 3D plot of (a) Hve(VC[m n]) (b) χve(VC[m n])
10 Journal of Chemistry
5 Conclusion
Graphs invariants are calculated by some well-known to-pological indices which are important tools for resemblingand forecasting the properties of chemical compounds inQSPRs and the QSARs e TI is a numerical measure thatrepresents the biological physical and chemical propertiesof molecules such as boiling melting and flickering pointmoisture and forming heat In this paper we have com-puted the ev degree and ve degree-based topological indiceswith graphical representations for the molecular structure ofvanadium carbide for a better understanding of pharma-ceutical physical chemical and biological properties
Data Availability
No data were used to support this study
Disclosure
is research was carried out as a part of employment of theauthors
Conflicts of Interest
e authors hereby declare that there are no conflicts ofinterest regarding the publication of this paper
References
[1] B Sahin and S Ediz ldquoOn ev-degree and ve-degree topo-logical indicesrdquo Iranian Journal of Mathematical Chemistryvol 9 no 4 pp 263ndash277 2018
[2] S Hosamani D Perigidad S Jamagoud Y Maled andS Gavade ldquoQSPR analysis of certain degree based topologicalindicesrdquo Journal of Statistics Applications amp Probability vol 6no 2 pp 361ndash371 2017
[3] S Ediz ldquoPredicting some physicochemical properties of oc-tane isomers a topological approach using ev-degree and ve-degree Zagreb indicesrdquo 2017 httpsuiadsabsharvardedulink_gateway2017arXiv170102859EarXiv170102859
[4] H Wiener ldquoStructural determination of paraffin boilingpointsrdquo Journal of the American Chemical Society vol 69no 1 pp 17ndash20 1947
[5] M Randic ldquoCharacterization of molecular branchingrdquoJournal of the American Chemical Society vol 97 no 23pp 6609ndash6615 1975
[6] I Gutman and N Trinajstic ldquoGraph theory and molecularorbitals Total φ-electron energy of alternant hydrocarbonsrdquoChemical Physics Letters vol 17 no 4 pp 535ndash538 1972
[7] S Ediz ldquoPredicting some physicochemical properties ofoctane isomers a topological approach using ev-degree andve-degree Zagreb indicesrdquo 2017
[8] Y-X Li A Rauf M Naeem M Ahsan Binyamin andA Aslam ldquordquoValency-based topological properties of linearhexagonal chain and hammer-like benzenoidrdquo Complexityp 2021 2021
[9] S-B Chen A Rauf M Ishtiaq M Naeem and A Aslam ldquoOnve-degree- and ev-degree-based topological properties ofcrystallographic structure of cuprite Cu2Ordquo Open Chemistryvol 19 no 1 pp 576ndash585 2021
[10] S Shirakol M Kalyanshetti M Sunilkumar and HosamanldquoQSPR analysis of certain distance based topological indicesrdquoApplied Mathematics and Nonlinear Sciences vol 4 no 2pp 371ndash386 2019
[11] S J Patel D Ng and M S Mannan ldquoQSPR flash pointprediction of solvents using topological indices for applicationin computer aided molecular designrdquo Industrial amp Engi-neering Chemistry Research vol 48 no 15 pp 7378ndash73872009
[12] J C Dearden ldquoe use of topological indices in QSAR andQSPR modelingrdquo in Advances in QSAR Modeling Challengesand Advances in Computational Chemistry and Physicspp 57ndash88 Springer Cham Switzerland 2017
[13] W Xing F Meng and R Yu ldquoA new type of vanadiumcarbide V5C3 and its hardening by tuning Fermi energyrdquoScientific Reports vol 6 no 1 pp 21794ndash21799 2016
[14] A VahidMohammadi A Hadjikhani S Shahbazmohamadiand M Beidaghi ldquoTwo-dimensional vanadium carbide(MXene) as a high-capacity cathode material for rechargeablealuminum batteriesrdquo ACS Nano vol 11 no 11pp 11135ndash11144 2017
[15] Y Guan S Jiang Y Cong et al ldquoA hydrofluoric acid-freesynthesis of 2D vanadium carbide (V2C) MXene for
70
60
50
40
30
20
10
Rve
2 4 6 8 10 12 14 12 10 8 6 4 2
mn
Figure 6 Graphical representation of Rve(VC[m n])
Journal of Chemistry 11
supercapacitor electrodesrdquo 2D Materials vol 7 no 2 ArticleID 025010 2020
[16] D Huang Y Xie D Lu et al ldquoDemonstration of a white laserwith V2C MXene-based quantum dotsrdquo Advanced Materialsvol 31 pp 1901117ndash24 2019
[17] D B West Introduction to Graph eory Vol 2 Prentice-Hall Upper Saddle River NJ USA 2001
[18] M Chellali T W Haynes S T Hedetniemi and T M LewisldquoOn ve-degrees and ev-degrees in graphsrdquo Discrete Mathe-matics vol 340 no 2 pp 31ndash38 2017
[19] A N A Koam A Ahmad and A A Ahamdini ldquoCompu-tation of vertex-edge degree based topological descriptors forhex-derived networksrdquo IEEE Access 2021
[20] E A Refaee and A Ahmad ldquoA study of hexagon star networkwith vertex-edge-based topological descriptorsrdquo Complexityvol 2021 2021
[21] A Ahmad ldquoComparative study of ve-degree and ev-degreetopological descriptors for benzene ring embedded in P-Type-Surface in 2D networkrdquo Polycyclic Aromatic Compoundspp 1ndash10 2020
[22] J Zhang M K Siddiqui A Rauf and M Ishtiaq ldquoOn ve-degree and ev-degree based topological properties of singlewalled titanium dioxide nanotuberdquo Journal of Cluster Sciencepp 1ndash12 2020
[23] B Horoldagva K Ch Das and T-A Selenge ldquoOn ve-Degreeand ev-Degree of Graphsrdquo Discrete Optimization vol 31pp 1ndash7 2019
[24] Te-H Fang S-R Jian and D-S Chuu ldquoNanomechanicalproperties of TiC TiN and TiCN thin films using scanningprobe microscopy and nanoindentationrdquo Applied SurfaceScience vol 228 no 1ndash4 pp 365ndash372 2004
[25] H G Prengel W R Pfouts and A T Santhanam ldquoState ofthe art in hard coatings for carbide cutting toolsrdquo Surface andCoatings Technology vol 102 no 3 pp 183ndash190 1998
[26] K H Lo F T Cheng C T Kwok and H Chung ManldquoMprovement of cavitation erosion resistance of AISI 316stainless steel by laser surface alloying using fineWC powderrdquoSurface and Coatings Technology vol 165 no 3 pp 258ndash2672003
[27] B Chicco W E Borbidge and E Summerville ldquoExperi-mental study of vanadium carbide and carbonitride coatingsrdquoMaterials Science and Engineering A vol 266 no 1-2pp 62ndash72 1999
[28] S A Hassanzadeh-Tabrizi ldquoHoma Hosseini Badr and SaraAlizadeh rdquoIn situ synthesis of vanadium carbide-coppernanocomposite by a modified mechanochemical combustionmethodrdquo Ceramics International vol 42 no 8pp 9371ndash9374 2016
[29] D Ferro J V Rau A Generosi V Rossi Albertini A Latiniand S M Barinov ldquoElectron beam deposited VC and NbCthin films on titanium hardness and energy-dispersive X-raydiffraction studyrdquo Surface and Coatings Technology vol 202no 10 pp 2162ndash2168 2008
[30] L BWang Z F Chen Y Zhang andW PWu InternationalJournal of Refractory Metals and Hard Materials p 20042009
[31] A Aouni P Weisbecker T Huu Loi and E Bauer-GrosseldquoSearch for new materials in sputtered V1-xCx filmsrdquo inSolid Films vol 469 pp 315ndash321 2004
[32] I Gutman B Ruscic N Trinajstic and C F Wilcox JrldquoGraph theory and molecular orbitals XII Acyclic polyenesrdquoe Journal of Chemical Physics vol 62 no 9 pp 3399ndash34051975
[33] N Nikolova and J Jaworska ldquoApproaches to measurechemical similarityndasha reviewrdquo QSAR amp Combinatorial Sci-ence vol 22 no 9-10 pp 1006ndash1026 2003
[34] E Estrada L Torres L Rodriguez and I Gutman ldquoAn atom-bond connectivity index modelling the enthalpy of formationof alkanesrdquo 1998
12 Journal of Chemistry
+
32288
1113970
+ 833306
1113970
minus 1534324
1113970
1113889m +
1884
1113970
+ 221130
1113970
+ 224168
1113970
+
28121
1113970
1113888
+ 227208
1113970
+ 330252
1113970
+
32288
1113970
+ 233306
1113970
minus 1534324
1113970
1113889n +
1032
1113970
+ 21455
1113970
1113888
+ 31460
1113970
minus 41884
1113970
+ 21572
1113970
+ 219110
1113970
+ 220121
1113970
minus 1021130
1113970
+ 222117
1113970
+ 223154
1113970
+ 220120
1113970
minus 1024168
1113970
+
22112
1113970
minus 628121
1113970
+ 225182
1113970
minus 827208
1113970
+ 225176
1113970
+ 226187
1113970
+ 229238
1113970
minus 1430252
1113970
minus 332288
1113970
minus 1033306
1113970
+
26180
1113970
+ 3734324
1113970
1113889 (5a)
GAve(VC[m n]) 1113944
uvisinE(VC[mn])
2dve(u) times dve(v)
1113968
dve(u) + dve(v)( 1113857
2
32
radic
121113888 1113889 E1
11138681113868111386811138681113868111386811138681113868 +
255
radic
161113888 1113889 E2
11138681113868111386811138681113868111386811138681113868 +
260
radic
161113888 1113889 E3
11138681113868111386811138681113868111386811138681113868 +
284
radic
201113888 1113889 E4
11138681113868111386811138681113868111386811138681113868 +
272
radic
171113888 1113889 E5
11138681113868111386811138681113868111386811138681113868
+2
110
radic
211113888 1113889 E6
11138681113868111386811138681113868111386811138681113868 +
2121
radic
221113888 1113889 E7
11138681113868111386811138681113868111386811138681113868 +
2130
radic
231113888 1113889 E8
11138681113868111386811138681113868111386811138681113868 +
2117
radic
221113888 1113889 E9
11138681113868111386811138681113868111386811138681113868
+2
154
radic
251113888 1113889 E10
11138681113868111386811138681113868111386811138681113868 +
2120
radic
221113888 1113889 E11
11138681113868111386811138681113868111386811138681113868 +
2168
radic
261113888 1113889 E12
11138681113868111386811138681113868111386811138681113868 +
2112
radic
221113888 1113889 E13
11138681113868111386811138681113868111386811138681113868
+2
121
radic
301113888 1113889 E14
11138681113868111386811138681113868111386811138681113868 +
2182
radic
271113888 1113889 E15
11138681113868111386811138681113868111386811138681113868 +
2208
radic
291113888 1113889 E16
11138681113868111386811138681113868111386811138681113868 +
2176
radic
271113888 1113889 E17
11138681113868111386811138681113868111386811138681113868
+2
187
radic
281113888 1113889 E18
11138681113868111386811138681113868111386811138681113868 +
2238
radic
311113888 1113889 E19
11138681113868111386811138681113868111386811138681113868 +
2252
radic
321113888 1113889 E20
11138681113868111386811138681113868111386811138681113868 +
2288
radic
341113888 1113889 E21
11138681113868111386811138681113868111386811138681113868
+2
306
radic
351113888 1113889 E22
11138681113868111386811138681113868111386811138681113868 +
2180
radic
281113888 1113889 E23
11138681113868111386811138681113868111386811138681113868 +
2324
radic
361113888 1113889 E24
11138681113868111386811138681113868111386811138681113868
12
324
radic
36mn +
284
radic
20+4
130
radic
23+4
168
radic
26+2
121
radic
30+4
208
radic
29+6
252
radic
321113888
+2
288
radic
34+16
306
radic
35minus30
324
radic
361113889m +
284
radic
201113888 +
4130
radic
23+4
168
radic
26+2
121
radic
30
+4
208
radic
29+6
252
radic
32+2
288
radic
34+4
306
radic
35minus30
324
radic
361113889n +
232
radic
12+4
55
radic
161113888
+6
60
radic
16minus8
84
radic
20+4
72
radic
17+4
110
radic
21+4
121
radic
22minus20
130
radic
23+4
117
radic
22+4
154
radic
25
+4
120
radic
22minus20
168
radic
26+2
112
radic
22minus12
121
radic
30+4
182
radic
27minus16
208
radic
29+4
176
radic
27
+4
187
radic
28+4
238
radic
31minus28
252
radic
32minus6
288
radic
34minus20
306
radic
35+2
180
radic
28+74
324
radic
361113889
(5b)
Hve
(VC[m n]) 1113944uvisinE(VC[mn])
2dve(u) + dve(v)
212
1113874 1113875 E11113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E21113868111386811138681113868
1113868111386811138681113868 +216
1113874 1113875 E31113868111386811138681113868
1113868111386811138681113868 +220
1113874 1113875 E41113868111386811138681113868
1113868111386811138681113868 +217
1113874 1113875 E51113868111386811138681113868
1113868111386811138681113868 +221
1113874 1113875 E61113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E71113868111386811138681113868
1113868111386811138681113868 +223
1113874 1113875 E81113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E91113868111386811138681113868
1113868111386811138681113868 +225
1113874 1113875 E101113868111386811138681113868
1113868111386811138681113868 +222
1113874 1113875 E111113868111386811138681113868
1113868111386811138681113868 +226
1113874 1113875 E121113868111386811138681113868
1113868111386811138681113868
+222
1113874 1113875 E131113868111386811138681113868
1113868111386811138681113868 +230
1113874 1113875 E141113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E151113868111386811138681113868
1113868111386811138681113868 +229
1113874 1113875 E161113868111386811138681113868
1113868111386811138681113868 +227
1113874 1113875 E171113868111386811138681113868
1113868111386811138681113868
Journal of Chemistry 7
+228
1113874 1113875 E181113868111386811138681113868
1113868111386811138681113868 +231
1113874 1113875 E191113868111386811138681113868
1113868111386811138681113868 +232
1113874 1113875 E201113868111386811138681113868
1113868111386811138681113868 +234
1113874 1113875 E211113868111386811138681113868
1113868111386811138681113868 +235
1113874 1113875 E221113868111386811138681113868
1113868111386811138681113868
+228
1113874 1113875 E231113868111386811138681113868
1113868111386811138681113868 +236
1113874 1113875 E241113868111386811138681113868
1113868111386811138681113868
13
mn +1097490593929469607440
m +39532069247643760
n +801297510323950023374300
(6a)
χve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v)( 1113857minus 12
(12)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(20)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(17)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(21)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(23)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E91113868111386811138681113868
1113868111386811138681113868 +(25)minus 12
E101113868111386811138681113868
1113868111386811138681113868
+(22)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(26)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E131113868111386811138681113868
1113868111386811138681113868 +(30)minus 12
E141113868111386811138681113868
1113868111386811138681113868
+(27)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(29)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(27)minus 12
E171113868111386811138681113868
1113868111386811138681113868 +(28)minus 12
E181113868111386811138681113868
1113868111386811138681113868
+(31)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(32)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(34)minus 12
E211113868111386811138681113868
1113868111386811138681113868 +(35)minus 12
E221113868111386811138681113868
1113868111386811138681113868
+(28)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(36)minus 12
E241113868111386811138681113868
1113868111386811138681113868
mn +120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +835
radic minus1536
radic1113888 1113889m
+120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +235
radic minus1536
radic1113888 1113889n
+112
radic +216
radic +316
radic minus420
radic +217
radic +221
radic +222
radic minus1023
radic +222
radic +225
radic1113888
minus1026
radic +122
radic minus630
radic +227
radic minus829
radic +227
radic +228
radic +231
radic minus1432
radic minus334
radic
minus1035
radic +128
radic +3736
radic 1113889
(6b)
Rve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) times dve(v)( 1113857minus 12
(32)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(55)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(60)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(84)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(72)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(110)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(121)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(130)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(117)minus 12
E91113868111386811138681113868
1113868111386811138681113868
+(154)minus 12
E101113868111386811138681113868
1113868111386811138681113868 +(120)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(168)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(112)minus 12
E131113868111386811138681113868
1113868111386811138681113868
+(121)minus 12
E141113868111386811138681113868
1113868111386811138681113868 +(182)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(208)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(176)minus 12
E171113868111386811138681113868
1113868111386811138681113868
+(187)minus 12
E181113868111386811138681113868
1113868111386811138681113868 +(238)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(252)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(288)minus 12
E211113868111386811138681113868
1113868111386811138681113868
+(306)minus 12
E221113868111386811138681113868
1113868111386811138681113868 +(180)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(324)minus 12
E241113868111386811138681113868
1113868111386811138681113868
6324
radic mn +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic +1288
radic1113888
+8306
radic minus15324
radic 1113889m +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic1113888
+1288
radic +2306
radic minus15324
radic 1113889n +132
radic +255
radic +360
radic minus472
radic +2110
radic1113888
+2121
radic minus484
radic minus10130
radic +2117
radic +2154
radic minus10168
radic +1112
radic +6221
radic
+2182
radic minus8208
radic +2176
radic +2187
radic +2238
radic minus14252
radic minus3288
radic minus10300
radic
+1180
radic +37324
radic 1113889
(7)
8 Journal of Chemistry
4 Numerical Results and Discussion
Topological indices are used as vital tools for the analysisof chemicals given the essential topology of chemicalstructures Zagreb-type indices are used to calculate thetotal πminus electronic energy of molecules [32] e Randichindex is commonly used to determine the chemicalsimilarity of molecular compounds as well as to calculate
the boiling point and Kovaz constants of molecules [33]e atom-bond connectivity index (ABC) provides a verygood correlation for calculating strain energies as well asfor the stability of linear and branched chemical structures[34] It can be seen from Table 4 and 5 and Figures 2ndash6 ofindices an increase in the value of m and n raises thevalues of topological descriptors for vanadium carbidestructure
Table 4 Numerical results of indices for vanadium carbide
[m n] Mev(H) Rev(H) Mαve1 (H) M
βve1 (H) M
βve2 (H)
[1 1] 92 0133 2 1324 2110 1804[2 2] 1026 1070 4 2732 2854 5698[3 3] 2932 2763 6 4788 4030 13 480[4 4] 5810 5212 6 7492 5638 25150[5 5] 9660 8417 7 10 844 7678 40 708[6 6] 14 482 12378 6 14 844 10150 60154[7 7] 20 276 17095 4 19 492 13 054 83 488[8 8] 27 042 22568 2 24 788 16 390 110 710[9 9] 34 780 28796 9 30 732 20158 141 820[10 10] 43 490 35781 6 37 324 24 358 176 818
Table 5 Numerical results of indices for vanadium carbide
[m n] ABCve(H) GAve(H) Hve(H) χve(H) Rve(H)
[1 1] 4707 4 10857 0 1708 8 1855 0 1031 9[2 2] 13289 6 32034 6 3240 9 6122 7 2722 3[3 3] 25759 0 65212 2 5439 6 12390 3 5079 3[4 4] 42115 7 110389 8 8305 0 20657 9 8103 0[5 5] 62359 7 167567 4 11837 0 30925 5 11793 3[6 6] 86491 0 236745 0 16035 7 43193 2 16150 3[7 7] 114509 6 317922 6 20901 1 57460 8 21174 0[8 8] 146415 5 411100 2 26433 2 73728 4 26864 3[9 9] 182208 7 516277 9 32631 9 919961 33221 3[10 10] 221889 3 633455 5 39497 3 112263 7 40245 0
14000
12000
10000
8000
6000
4000
2000
Mev
1 2 3 4 5 6 5 4 3 2 1
mn
(a)
20
15
10
5
Rev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(b)
Figure 2 3D plot of (a) Mev(VC[m n]) (b) Rev(VC[m n])
Journal of Chemistry 9
16000
14000
12000
10000
80001
6000
4000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(a)
100000
80000
60000
40000
20000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1n m
2
(b)
Figure 3 3D plot of (a) Mβve1 (VC[m n]) (b) Mβve
2 (VC[m n])
200
150
100
50
ABCv
e
1 2 3 4 5 6 7 8 910 9 8 7 6 5 4 3 2 1
mn
(a)
600
500
400
300
200
100
GAve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 4 3D plot of (a) ABCve(VC[m n]) (b) GAve(VC[m n])
353025201510
5
Hve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(a)
100
80
60
40
20
xve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 5 3D plot of (a) Hve(VC[m n]) (b) χve(VC[m n])
10 Journal of Chemistry
5 Conclusion
Graphs invariants are calculated by some well-known to-pological indices which are important tools for resemblingand forecasting the properties of chemical compounds inQSPRs and the QSARs e TI is a numerical measure thatrepresents the biological physical and chemical propertiesof molecules such as boiling melting and flickering pointmoisture and forming heat In this paper we have com-puted the ev degree and ve degree-based topological indiceswith graphical representations for the molecular structure ofvanadium carbide for a better understanding of pharma-ceutical physical chemical and biological properties
Data Availability
No data were used to support this study
Disclosure
is research was carried out as a part of employment of theauthors
Conflicts of Interest
e authors hereby declare that there are no conflicts ofinterest regarding the publication of this paper
References
[1] B Sahin and S Ediz ldquoOn ev-degree and ve-degree topo-logical indicesrdquo Iranian Journal of Mathematical Chemistryvol 9 no 4 pp 263ndash277 2018
[2] S Hosamani D Perigidad S Jamagoud Y Maled andS Gavade ldquoQSPR analysis of certain degree based topologicalindicesrdquo Journal of Statistics Applications amp Probability vol 6no 2 pp 361ndash371 2017
[3] S Ediz ldquoPredicting some physicochemical properties of oc-tane isomers a topological approach using ev-degree and ve-degree Zagreb indicesrdquo 2017 httpsuiadsabsharvardedulink_gateway2017arXiv170102859EarXiv170102859
[4] H Wiener ldquoStructural determination of paraffin boilingpointsrdquo Journal of the American Chemical Society vol 69no 1 pp 17ndash20 1947
[5] M Randic ldquoCharacterization of molecular branchingrdquoJournal of the American Chemical Society vol 97 no 23pp 6609ndash6615 1975
[6] I Gutman and N Trinajstic ldquoGraph theory and molecularorbitals Total φ-electron energy of alternant hydrocarbonsrdquoChemical Physics Letters vol 17 no 4 pp 535ndash538 1972
[7] S Ediz ldquoPredicting some physicochemical properties ofoctane isomers a topological approach using ev-degree andve-degree Zagreb indicesrdquo 2017
[8] Y-X Li A Rauf M Naeem M Ahsan Binyamin andA Aslam ldquordquoValency-based topological properties of linearhexagonal chain and hammer-like benzenoidrdquo Complexityp 2021 2021
[9] S-B Chen A Rauf M Ishtiaq M Naeem and A Aslam ldquoOnve-degree- and ev-degree-based topological properties ofcrystallographic structure of cuprite Cu2Ordquo Open Chemistryvol 19 no 1 pp 576ndash585 2021
[10] S Shirakol M Kalyanshetti M Sunilkumar and HosamanldquoQSPR analysis of certain distance based topological indicesrdquoApplied Mathematics and Nonlinear Sciences vol 4 no 2pp 371ndash386 2019
[11] S J Patel D Ng and M S Mannan ldquoQSPR flash pointprediction of solvents using topological indices for applicationin computer aided molecular designrdquo Industrial amp Engi-neering Chemistry Research vol 48 no 15 pp 7378ndash73872009
[12] J C Dearden ldquoe use of topological indices in QSAR andQSPR modelingrdquo in Advances in QSAR Modeling Challengesand Advances in Computational Chemistry and Physicspp 57ndash88 Springer Cham Switzerland 2017
[13] W Xing F Meng and R Yu ldquoA new type of vanadiumcarbide V5C3 and its hardening by tuning Fermi energyrdquoScientific Reports vol 6 no 1 pp 21794ndash21799 2016
[14] A VahidMohammadi A Hadjikhani S Shahbazmohamadiand M Beidaghi ldquoTwo-dimensional vanadium carbide(MXene) as a high-capacity cathode material for rechargeablealuminum batteriesrdquo ACS Nano vol 11 no 11pp 11135ndash11144 2017
[15] Y Guan S Jiang Y Cong et al ldquoA hydrofluoric acid-freesynthesis of 2D vanadium carbide (V2C) MXene for
70
60
50
40
30
20
10
Rve
2 4 6 8 10 12 14 12 10 8 6 4 2
mn
Figure 6 Graphical representation of Rve(VC[m n])
Journal of Chemistry 11
supercapacitor electrodesrdquo 2D Materials vol 7 no 2 ArticleID 025010 2020
[16] D Huang Y Xie D Lu et al ldquoDemonstration of a white laserwith V2C MXene-based quantum dotsrdquo Advanced Materialsvol 31 pp 1901117ndash24 2019
[17] D B West Introduction to Graph eory Vol 2 Prentice-Hall Upper Saddle River NJ USA 2001
[18] M Chellali T W Haynes S T Hedetniemi and T M LewisldquoOn ve-degrees and ev-degrees in graphsrdquo Discrete Mathe-matics vol 340 no 2 pp 31ndash38 2017
[19] A N A Koam A Ahmad and A A Ahamdini ldquoCompu-tation of vertex-edge degree based topological descriptors forhex-derived networksrdquo IEEE Access 2021
[20] E A Refaee and A Ahmad ldquoA study of hexagon star networkwith vertex-edge-based topological descriptorsrdquo Complexityvol 2021 2021
[21] A Ahmad ldquoComparative study of ve-degree and ev-degreetopological descriptors for benzene ring embedded in P-Type-Surface in 2D networkrdquo Polycyclic Aromatic Compoundspp 1ndash10 2020
[22] J Zhang M K Siddiqui A Rauf and M Ishtiaq ldquoOn ve-degree and ev-degree based topological properties of singlewalled titanium dioxide nanotuberdquo Journal of Cluster Sciencepp 1ndash12 2020
[23] B Horoldagva K Ch Das and T-A Selenge ldquoOn ve-Degreeand ev-Degree of Graphsrdquo Discrete Optimization vol 31pp 1ndash7 2019
[24] Te-H Fang S-R Jian and D-S Chuu ldquoNanomechanicalproperties of TiC TiN and TiCN thin films using scanningprobe microscopy and nanoindentationrdquo Applied SurfaceScience vol 228 no 1ndash4 pp 365ndash372 2004
[25] H G Prengel W R Pfouts and A T Santhanam ldquoState ofthe art in hard coatings for carbide cutting toolsrdquo Surface andCoatings Technology vol 102 no 3 pp 183ndash190 1998
[26] K H Lo F T Cheng C T Kwok and H Chung ManldquoMprovement of cavitation erosion resistance of AISI 316stainless steel by laser surface alloying using fineWC powderrdquoSurface and Coatings Technology vol 165 no 3 pp 258ndash2672003
[27] B Chicco W E Borbidge and E Summerville ldquoExperi-mental study of vanadium carbide and carbonitride coatingsrdquoMaterials Science and Engineering A vol 266 no 1-2pp 62ndash72 1999
[28] S A Hassanzadeh-Tabrizi ldquoHoma Hosseini Badr and SaraAlizadeh rdquoIn situ synthesis of vanadium carbide-coppernanocomposite by a modified mechanochemical combustionmethodrdquo Ceramics International vol 42 no 8pp 9371ndash9374 2016
[29] D Ferro J V Rau A Generosi V Rossi Albertini A Latiniand S M Barinov ldquoElectron beam deposited VC and NbCthin films on titanium hardness and energy-dispersive X-raydiffraction studyrdquo Surface and Coatings Technology vol 202no 10 pp 2162ndash2168 2008
[30] L BWang Z F Chen Y Zhang andW PWu InternationalJournal of Refractory Metals and Hard Materials p 20042009
[31] A Aouni P Weisbecker T Huu Loi and E Bauer-GrosseldquoSearch for new materials in sputtered V1-xCx filmsrdquo inSolid Films vol 469 pp 315ndash321 2004
[32] I Gutman B Ruscic N Trinajstic and C F Wilcox JrldquoGraph theory and molecular orbitals XII Acyclic polyenesrdquoe Journal of Chemical Physics vol 62 no 9 pp 3399ndash34051975
[33] N Nikolova and J Jaworska ldquoApproaches to measurechemical similarityndasha reviewrdquo QSAR amp Combinatorial Sci-ence vol 22 no 9-10 pp 1006ndash1026 2003
[34] E Estrada L Torres L Rodriguez and I Gutman ldquoAn atom-bond connectivity index modelling the enthalpy of formationof alkanesrdquo 1998
12 Journal of Chemistry
+228
1113874 1113875 E181113868111386811138681113868
1113868111386811138681113868 +231
1113874 1113875 E191113868111386811138681113868
1113868111386811138681113868 +232
1113874 1113875 E201113868111386811138681113868
1113868111386811138681113868 +234
1113874 1113875 E211113868111386811138681113868
1113868111386811138681113868 +235
1113874 1113875 E221113868111386811138681113868
1113868111386811138681113868
+228
1113874 1113875 E231113868111386811138681113868
1113868111386811138681113868 +236
1113874 1113875 E241113868111386811138681113868
1113868111386811138681113868
13
mn +1097490593929469607440
m +39532069247643760
n +801297510323950023374300
(6a)
χve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) + dve(v)( 1113857minus 12
(12)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(16)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(20)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(17)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(21)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(23)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E91113868111386811138681113868
1113868111386811138681113868 +(25)minus 12
E101113868111386811138681113868
1113868111386811138681113868
+(22)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(26)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(22)minus 12
E131113868111386811138681113868
1113868111386811138681113868 +(30)minus 12
E141113868111386811138681113868
1113868111386811138681113868
+(27)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(29)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(27)minus 12
E171113868111386811138681113868
1113868111386811138681113868 +(28)minus 12
E181113868111386811138681113868
1113868111386811138681113868
+(31)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(32)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(34)minus 12
E211113868111386811138681113868
1113868111386811138681113868 +(35)minus 12
E221113868111386811138681113868
1113868111386811138681113868
+(28)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(36)minus 12
E241113868111386811138681113868
1113868111386811138681113868
mn +120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +835
radic minus1536
radic1113888 1113889m
+120
radic +223
radic +226
radic +130
radic +229
radic +332
radic +134
radic +235
radic minus1536
radic1113888 1113889n
+112
radic +216
radic +316
radic minus420
radic +217
radic +221
radic +222
radic minus1023
radic +222
radic +225
radic1113888
minus1026
radic +122
radic minus630
radic +227
radic minus829
radic +227
radic +228
radic +231
radic minus1432
radic minus334
radic
minus1035
radic +128
radic +3736
radic 1113889
(6b)
Rve(VC[m n]) 1113944
uvisinE(VC[mn])
dve(u) times dve(v)( 1113857minus 12
(32)minus 12
E11113868111386811138681113868
1113868111386811138681113868 +(55)minus 12
E21113868111386811138681113868
1113868111386811138681113868 +(60)minus 12
E31113868111386811138681113868
1113868111386811138681113868 +(84)minus 12
E41113868111386811138681113868
1113868111386811138681113868 +(72)minus 12
E51113868111386811138681113868
1113868111386811138681113868
+(110)minus 12
E61113868111386811138681113868
1113868111386811138681113868 +(121)minus 12
E71113868111386811138681113868
1113868111386811138681113868 +(130)minus 12
E81113868111386811138681113868
1113868111386811138681113868 +(117)minus 12
E91113868111386811138681113868
1113868111386811138681113868
+(154)minus 12
E101113868111386811138681113868
1113868111386811138681113868 +(120)minus 12
E111113868111386811138681113868
1113868111386811138681113868 +(168)minus 12
E121113868111386811138681113868
1113868111386811138681113868 +(112)minus 12
E131113868111386811138681113868
1113868111386811138681113868
+(121)minus 12
E141113868111386811138681113868
1113868111386811138681113868 +(182)minus 12
E151113868111386811138681113868
1113868111386811138681113868 +(208)minus 12
E161113868111386811138681113868
1113868111386811138681113868 +(176)minus 12
E171113868111386811138681113868
1113868111386811138681113868
+(187)minus 12
E181113868111386811138681113868
1113868111386811138681113868 +(238)minus 12
E191113868111386811138681113868
1113868111386811138681113868 +(252)minus 12
E201113868111386811138681113868
1113868111386811138681113868 +(288)minus 12
E211113868111386811138681113868
1113868111386811138681113868
+(306)minus 12
E221113868111386811138681113868
1113868111386811138681113868 +(180)minus 12
E231113868111386811138681113868
1113868111386811138681113868 +(324)minus 12
E241113868111386811138681113868
1113868111386811138681113868
6324
radic mn +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic +1288
radic1113888
+8306
radic minus15324
radic 1113889m +184
radic +2130
radic +2168
radic +1221
radic +2208
radic +3252
radic1113888
+1288
radic +2306
radic minus15324
radic 1113889n +132
radic +255
radic +360
radic minus472
radic +2110
radic1113888
+2121
radic minus484
radic minus10130
radic +2117
radic +2154
radic minus10168
radic +1112
radic +6221
radic
+2182
radic minus8208
radic +2176
radic +2187
radic +2238
radic minus14252
radic minus3288
radic minus10300
radic
+1180
radic +37324
radic 1113889
(7)
8 Journal of Chemistry
4 Numerical Results and Discussion
Topological indices are used as vital tools for the analysisof chemicals given the essential topology of chemicalstructures Zagreb-type indices are used to calculate thetotal πminus electronic energy of molecules [32] e Randichindex is commonly used to determine the chemicalsimilarity of molecular compounds as well as to calculate
the boiling point and Kovaz constants of molecules [33]e atom-bond connectivity index (ABC) provides a verygood correlation for calculating strain energies as well asfor the stability of linear and branched chemical structures[34] It can be seen from Table 4 and 5 and Figures 2ndash6 ofindices an increase in the value of m and n raises thevalues of topological descriptors for vanadium carbidestructure
Table 4 Numerical results of indices for vanadium carbide
[m n] Mev(H) Rev(H) Mαve1 (H) M
βve1 (H) M
βve2 (H)
[1 1] 92 0133 2 1324 2110 1804[2 2] 1026 1070 4 2732 2854 5698[3 3] 2932 2763 6 4788 4030 13 480[4 4] 5810 5212 6 7492 5638 25150[5 5] 9660 8417 7 10 844 7678 40 708[6 6] 14 482 12378 6 14 844 10150 60154[7 7] 20 276 17095 4 19 492 13 054 83 488[8 8] 27 042 22568 2 24 788 16 390 110 710[9 9] 34 780 28796 9 30 732 20158 141 820[10 10] 43 490 35781 6 37 324 24 358 176 818
Table 5 Numerical results of indices for vanadium carbide
[m n] ABCve(H) GAve(H) Hve(H) χve(H) Rve(H)
[1 1] 4707 4 10857 0 1708 8 1855 0 1031 9[2 2] 13289 6 32034 6 3240 9 6122 7 2722 3[3 3] 25759 0 65212 2 5439 6 12390 3 5079 3[4 4] 42115 7 110389 8 8305 0 20657 9 8103 0[5 5] 62359 7 167567 4 11837 0 30925 5 11793 3[6 6] 86491 0 236745 0 16035 7 43193 2 16150 3[7 7] 114509 6 317922 6 20901 1 57460 8 21174 0[8 8] 146415 5 411100 2 26433 2 73728 4 26864 3[9 9] 182208 7 516277 9 32631 9 919961 33221 3[10 10] 221889 3 633455 5 39497 3 112263 7 40245 0
14000
12000
10000
8000
6000
4000
2000
Mev
1 2 3 4 5 6 5 4 3 2 1
mn
(a)
20
15
10
5
Rev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(b)
Figure 2 3D plot of (a) Mev(VC[m n]) (b) Rev(VC[m n])
Journal of Chemistry 9
16000
14000
12000
10000
80001
6000
4000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(a)
100000
80000
60000
40000
20000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1n m
2
(b)
Figure 3 3D plot of (a) Mβve1 (VC[m n]) (b) Mβve
2 (VC[m n])
200
150
100
50
ABCv
e
1 2 3 4 5 6 7 8 910 9 8 7 6 5 4 3 2 1
mn
(a)
600
500
400
300
200
100
GAve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 4 3D plot of (a) ABCve(VC[m n]) (b) GAve(VC[m n])
353025201510
5
Hve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(a)
100
80
60
40
20
xve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 5 3D plot of (a) Hve(VC[m n]) (b) χve(VC[m n])
10 Journal of Chemistry
5 Conclusion
Graphs invariants are calculated by some well-known to-pological indices which are important tools for resemblingand forecasting the properties of chemical compounds inQSPRs and the QSARs e TI is a numerical measure thatrepresents the biological physical and chemical propertiesof molecules such as boiling melting and flickering pointmoisture and forming heat In this paper we have com-puted the ev degree and ve degree-based topological indiceswith graphical representations for the molecular structure ofvanadium carbide for a better understanding of pharma-ceutical physical chemical and biological properties
Data Availability
No data were used to support this study
Disclosure
is research was carried out as a part of employment of theauthors
Conflicts of Interest
e authors hereby declare that there are no conflicts ofinterest regarding the publication of this paper
References
[1] B Sahin and S Ediz ldquoOn ev-degree and ve-degree topo-logical indicesrdquo Iranian Journal of Mathematical Chemistryvol 9 no 4 pp 263ndash277 2018
[2] S Hosamani D Perigidad S Jamagoud Y Maled andS Gavade ldquoQSPR analysis of certain degree based topologicalindicesrdquo Journal of Statistics Applications amp Probability vol 6no 2 pp 361ndash371 2017
[3] S Ediz ldquoPredicting some physicochemical properties of oc-tane isomers a topological approach using ev-degree and ve-degree Zagreb indicesrdquo 2017 httpsuiadsabsharvardedulink_gateway2017arXiv170102859EarXiv170102859
[4] H Wiener ldquoStructural determination of paraffin boilingpointsrdquo Journal of the American Chemical Society vol 69no 1 pp 17ndash20 1947
[5] M Randic ldquoCharacterization of molecular branchingrdquoJournal of the American Chemical Society vol 97 no 23pp 6609ndash6615 1975
[6] I Gutman and N Trinajstic ldquoGraph theory and molecularorbitals Total φ-electron energy of alternant hydrocarbonsrdquoChemical Physics Letters vol 17 no 4 pp 535ndash538 1972
[7] S Ediz ldquoPredicting some physicochemical properties ofoctane isomers a topological approach using ev-degree andve-degree Zagreb indicesrdquo 2017
[8] Y-X Li A Rauf M Naeem M Ahsan Binyamin andA Aslam ldquordquoValency-based topological properties of linearhexagonal chain and hammer-like benzenoidrdquo Complexityp 2021 2021
[9] S-B Chen A Rauf M Ishtiaq M Naeem and A Aslam ldquoOnve-degree- and ev-degree-based topological properties ofcrystallographic structure of cuprite Cu2Ordquo Open Chemistryvol 19 no 1 pp 576ndash585 2021
[10] S Shirakol M Kalyanshetti M Sunilkumar and HosamanldquoQSPR analysis of certain distance based topological indicesrdquoApplied Mathematics and Nonlinear Sciences vol 4 no 2pp 371ndash386 2019
[11] S J Patel D Ng and M S Mannan ldquoQSPR flash pointprediction of solvents using topological indices for applicationin computer aided molecular designrdquo Industrial amp Engi-neering Chemistry Research vol 48 no 15 pp 7378ndash73872009
[12] J C Dearden ldquoe use of topological indices in QSAR andQSPR modelingrdquo in Advances in QSAR Modeling Challengesand Advances in Computational Chemistry and Physicspp 57ndash88 Springer Cham Switzerland 2017
[13] W Xing F Meng and R Yu ldquoA new type of vanadiumcarbide V5C3 and its hardening by tuning Fermi energyrdquoScientific Reports vol 6 no 1 pp 21794ndash21799 2016
[14] A VahidMohammadi A Hadjikhani S Shahbazmohamadiand M Beidaghi ldquoTwo-dimensional vanadium carbide(MXene) as a high-capacity cathode material for rechargeablealuminum batteriesrdquo ACS Nano vol 11 no 11pp 11135ndash11144 2017
[15] Y Guan S Jiang Y Cong et al ldquoA hydrofluoric acid-freesynthesis of 2D vanadium carbide (V2C) MXene for
70
60
50
40
30
20
10
Rve
2 4 6 8 10 12 14 12 10 8 6 4 2
mn
Figure 6 Graphical representation of Rve(VC[m n])
Journal of Chemistry 11
supercapacitor electrodesrdquo 2D Materials vol 7 no 2 ArticleID 025010 2020
[16] D Huang Y Xie D Lu et al ldquoDemonstration of a white laserwith V2C MXene-based quantum dotsrdquo Advanced Materialsvol 31 pp 1901117ndash24 2019
[17] D B West Introduction to Graph eory Vol 2 Prentice-Hall Upper Saddle River NJ USA 2001
[18] M Chellali T W Haynes S T Hedetniemi and T M LewisldquoOn ve-degrees and ev-degrees in graphsrdquo Discrete Mathe-matics vol 340 no 2 pp 31ndash38 2017
[19] A N A Koam A Ahmad and A A Ahamdini ldquoCompu-tation of vertex-edge degree based topological descriptors forhex-derived networksrdquo IEEE Access 2021
[20] E A Refaee and A Ahmad ldquoA study of hexagon star networkwith vertex-edge-based topological descriptorsrdquo Complexityvol 2021 2021
[21] A Ahmad ldquoComparative study of ve-degree and ev-degreetopological descriptors for benzene ring embedded in P-Type-Surface in 2D networkrdquo Polycyclic Aromatic Compoundspp 1ndash10 2020
[22] J Zhang M K Siddiqui A Rauf and M Ishtiaq ldquoOn ve-degree and ev-degree based topological properties of singlewalled titanium dioxide nanotuberdquo Journal of Cluster Sciencepp 1ndash12 2020
[23] B Horoldagva K Ch Das and T-A Selenge ldquoOn ve-Degreeand ev-Degree of Graphsrdquo Discrete Optimization vol 31pp 1ndash7 2019
[24] Te-H Fang S-R Jian and D-S Chuu ldquoNanomechanicalproperties of TiC TiN and TiCN thin films using scanningprobe microscopy and nanoindentationrdquo Applied SurfaceScience vol 228 no 1ndash4 pp 365ndash372 2004
[25] H G Prengel W R Pfouts and A T Santhanam ldquoState ofthe art in hard coatings for carbide cutting toolsrdquo Surface andCoatings Technology vol 102 no 3 pp 183ndash190 1998
[26] K H Lo F T Cheng C T Kwok and H Chung ManldquoMprovement of cavitation erosion resistance of AISI 316stainless steel by laser surface alloying using fineWC powderrdquoSurface and Coatings Technology vol 165 no 3 pp 258ndash2672003
[27] B Chicco W E Borbidge and E Summerville ldquoExperi-mental study of vanadium carbide and carbonitride coatingsrdquoMaterials Science and Engineering A vol 266 no 1-2pp 62ndash72 1999
[28] S A Hassanzadeh-Tabrizi ldquoHoma Hosseini Badr and SaraAlizadeh rdquoIn situ synthesis of vanadium carbide-coppernanocomposite by a modified mechanochemical combustionmethodrdquo Ceramics International vol 42 no 8pp 9371ndash9374 2016
[29] D Ferro J V Rau A Generosi V Rossi Albertini A Latiniand S M Barinov ldquoElectron beam deposited VC and NbCthin films on titanium hardness and energy-dispersive X-raydiffraction studyrdquo Surface and Coatings Technology vol 202no 10 pp 2162ndash2168 2008
[30] L BWang Z F Chen Y Zhang andW PWu InternationalJournal of Refractory Metals and Hard Materials p 20042009
[31] A Aouni P Weisbecker T Huu Loi and E Bauer-GrosseldquoSearch for new materials in sputtered V1-xCx filmsrdquo inSolid Films vol 469 pp 315ndash321 2004
[32] I Gutman B Ruscic N Trinajstic and C F Wilcox JrldquoGraph theory and molecular orbitals XII Acyclic polyenesrdquoe Journal of Chemical Physics vol 62 no 9 pp 3399ndash34051975
[33] N Nikolova and J Jaworska ldquoApproaches to measurechemical similarityndasha reviewrdquo QSAR amp Combinatorial Sci-ence vol 22 no 9-10 pp 1006ndash1026 2003
[34] E Estrada L Torres L Rodriguez and I Gutman ldquoAn atom-bond connectivity index modelling the enthalpy of formationof alkanesrdquo 1998
12 Journal of Chemistry
4 Numerical Results and Discussion
Topological indices are used as vital tools for the analysisof chemicals given the essential topology of chemicalstructures Zagreb-type indices are used to calculate thetotal πminus electronic energy of molecules [32] e Randichindex is commonly used to determine the chemicalsimilarity of molecular compounds as well as to calculate
the boiling point and Kovaz constants of molecules [33]e atom-bond connectivity index (ABC) provides a verygood correlation for calculating strain energies as well asfor the stability of linear and branched chemical structures[34] It can be seen from Table 4 and 5 and Figures 2ndash6 ofindices an increase in the value of m and n raises thevalues of topological descriptors for vanadium carbidestructure
Table 4 Numerical results of indices for vanadium carbide
[m n] Mev(H) Rev(H) Mαve1 (H) M
βve1 (H) M
βve2 (H)
[1 1] 92 0133 2 1324 2110 1804[2 2] 1026 1070 4 2732 2854 5698[3 3] 2932 2763 6 4788 4030 13 480[4 4] 5810 5212 6 7492 5638 25150[5 5] 9660 8417 7 10 844 7678 40 708[6 6] 14 482 12378 6 14 844 10150 60154[7 7] 20 276 17095 4 19 492 13 054 83 488[8 8] 27 042 22568 2 24 788 16 390 110 710[9 9] 34 780 28796 9 30 732 20158 141 820[10 10] 43 490 35781 6 37 324 24 358 176 818
Table 5 Numerical results of indices for vanadium carbide
[m n] ABCve(H) GAve(H) Hve(H) χve(H) Rve(H)
[1 1] 4707 4 10857 0 1708 8 1855 0 1031 9[2 2] 13289 6 32034 6 3240 9 6122 7 2722 3[3 3] 25759 0 65212 2 5439 6 12390 3 5079 3[4 4] 42115 7 110389 8 8305 0 20657 9 8103 0[5 5] 62359 7 167567 4 11837 0 30925 5 11793 3[6 6] 86491 0 236745 0 16035 7 43193 2 16150 3[7 7] 114509 6 317922 6 20901 1 57460 8 21174 0[8 8] 146415 5 411100 2 26433 2 73728 4 26864 3[9 9] 182208 7 516277 9 32631 9 919961 33221 3[10 10] 221889 3 633455 5 39497 3 112263 7 40245 0
14000
12000
10000
8000
6000
4000
2000
Mev
1 2 3 4 5 6 5 4 3 2 1
mn
(a)
20
15
10
5
Rev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(b)
Figure 2 3D plot of (a) Mev(VC[m n]) (b) Rev(VC[m n])
Journal of Chemistry 9
16000
14000
12000
10000
80001
6000
4000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(a)
100000
80000
60000
40000
20000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1n m
2
(b)
Figure 3 3D plot of (a) Mβve1 (VC[m n]) (b) Mβve
2 (VC[m n])
200
150
100
50
ABCv
e
1 2 3 4 5 6 7 8 910 9 8 7 6 5 4 3 2 1
mn
(a)
600
500
400
300
200
100
GAve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 4 3D plot of (a) ABCve(VC[m n]) (b) GAve(VC[m n])
353025201510
5
Hve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(a)
100
80
60
40
20
xve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 5 3D plot of (a) Hve(VC[m n]) (b) χve(VC[m n])
10 Journal of Chemistry
5 Conclusion
Graphs invariants are calculated by some well-known to-pological indices which are important tools for resemblingand forecasting the properties of chemical compounds inQSPRs and the QSARs e TI is a numerical measure thatrepresents the biological physical and chemical propertiesof molecules such as boiling melting and flickering pointmoisture and forming heat In this paper we have com-puted the ev degree and ve degree-based topological indiceswith graphical representations for the molecular structure ofvanadium carbide for a better understanding of pharma-ceutical physical chemical and biological properties
Data Availability
No data were used to support this study
Disclosure
is research was carried out as a part of employment of theauthors
Conflicts of Interest
e authors hereby declare that there are no conflicts ofinterest regarding the publication of this paper
References
[1] B Sahin and S Ediz ldquoOn ev-degree and ve-degree topo-logical indicesrdquo Iranian Journal of Mathematical Chemistryvol 9 no 4 pp 263ndash277 2018
[2] S Hosamani D Perigidad S Jamagoud Y Maled andS Gavade ldquoQSPR analysis of certain degree based topologicalindicesrdquo Journal of Statistics Applications amp Probability vol 6no 2 pp 361ndash371 2017
[3] S Ediz ldquoPredicting some physicochemical properties of oc-tane isomers a topological approach using ev-degree and ve-degree Zagreb indicesrdquo 2017 httpsuiadsabsharvardedulink_gateway2017arXiv170102859EarXiv170102859
[4] H Wiener ldquoStructural determination of paraffin boilingpointsrdquo Journal of the American Chemical Society vol 69no 1 pp 17ndash20 1947
[5] M Randic ldquoCharacterization of molecular branchingrdquoJournal of the American Chemical Society vol 97 no 23pp 6609ndash6615 1975
[6] I Gutman and N Trinajstic ldquoGraph theory and molecularorbitals Total φ-electron energy of alternant hydrocarbonsrdquoChemical Physics Letters vol 17 no 4 pp 535ndash538 1972
[7] S Ediz ldquoPredicting some physicochemical properties ofoctane isomers a topological approach using ev-degree andve-degree Zagreb indicesrdquo 2017
[8] Y-X Li A Rauf M Naeem M Ahsan Binyamin andA Aslam ldquordquoValency-based topological properties of linearhexagonal chain and hammer-like benzenoidrdquo Complexityp 2021 2021
[9] S-B Chen A Rauf M Ishtiaq M Naeem and A Aslam ldquoOnve-degree- and ev-degree-based topological properties ofcrystallographic structure of cuprite Cu2Ordquo Open Chemistryvol 19 no 1 pp 576ndash585 2021
[10] S Shirakol M Kalyanshetti M Sunilkumar and HosamanldquoQSPR analysis of certain distance based topological indicesrdquoApplied Mathematics and Nonlinear Sciences vol 4 no 2pp 371ndash386 2019
[11] S J Patel D Ng and M S Mannan ldquoQSPR flash pointprediction of solvents using topological indices for applicationin computer aided molecular designrdquo Industrial amp Engi-neering Chemistry Research vol 48 no 15 pp 7378ndash73872009
[12] J C Dearden ldquoe use of topological indices in QSAR andQSPR modelingrdquo in Advances in QSAR Modeling Challengesand Advances in Computational Chemistry and Physicspp 57ndash88 Springer Cham Switzerland 2017
[13] W Xing F Meng and R Yu ldquoA new type of vanadiumcarbide V5C3 and its hardening by tuning Fermi energyrdquoScientific Reports vol 6 no 1 pp 21794ndash21799 2016
[14] A VahidMohammadi A Hadjikhani S Shahbazmohamadiand M Beidaghi ldquoTwo-dimensional vanadium carbide(MXene) as a high-capacity cathode material for rechargeablealuminum batteriesrdquo ACS Nano vol 11 no 11pp 11135ndash11144 2017
[15] Y Guan S Jiang Y Cong et al ldquoA hydrofluoric acid-freesynthesis of 2D vanadium carbide (V2C) MXene for
70
60
50
40
30
20
10
Rve
2 4 6 8 10 12 14 12 10 8 6 4 2
mn
Figure 6 Graphical representation of Rve(VC[m n])
Journal of Chemistry 11
supercapacitor electrodesrdquo 2D Materials vol 7 no 2 ArticleID 025010 2020
[16] D Huang Y Xie D Lu et al ldquoDemonstration of a white laserwith V2C MXene-based quantum dotsrdquo Advanced Materialsvol 31 pp 1901117ndash24 2019
[17] D B West Introduction to Graph eory Vol 2 Prentice-Hall Upper Saddle River NJ USA 2001
[18] M Chellali T W Haynes S T Hedetniemi and T M LewisldquoOn ve-degrees and ev-degrees in graphsrdquo Discrete Mathe-matics vol 340 no 2 pp 31ndash38 2017
[19] A N A Koam A Ahmad and A A Ahamdini ldquoCompu-tation of vertex-edge degree based topological descriptors forhex-derived networksrdquo IEEE Access 2021
[20] E A Refaee and A Ahmad ldquoA study of hexagon star networkwith vertex-edge-based topological descriptorsrdquo Complexityvol 2021 2021
[21] A Ahmad ldquoComparative study of ve-degree and ev-degreetopological descriptors for benzene ring embedded in P-Type-Surface in 2D networkrdquo Polycyclic Aromatic Compoundspp 1ndash10 2020
[22] J Zhang M K Siddiqui A Rauf and M Ishtiaq ldquoOn ve-degree and ev-degree based topological properties of singlewalled titanium dioxide nanotuberdquo Journal of Cluster Sciencepp 1ndash12 2020
[23] B Horoldagva K Ch Das and T-A Selenge ldquoOn ve-Degreeand ev-Degree of Graphsrdquo Discrete Optimization vol 31pp 1ndash7 2019
[24] Te-H Fang S-R Jian and D-S Chuu ldquoNanomechanicalproperties of TiC TiN and TiCN thin films using scanningprobe microscopy and nanoindentationrdquo Applied SurfaceScience vol 228 no 1ndash4 pp 365ndash372 2004
[25] H G Prengel W R Pfouts and A T Santhanam ldquoState ofthe art in hard coatings for carbide cutting toolsrdquo Surface andCoatings Technology vol 102 no 3 pp 183ndash190 1998
[26] K H Lo F T Cheng C T Kwok and H Chung ManldquoMprovement of cavitation erosion resistance of AISI 316stainless steel by laser surface alloying using fineWC powderrdquoSurface and Coatings Technology vol 165 no 3 pp 258ndash2672003
[27] B Chicco W E Borbidge and E Summerville ldquoExperi-mental study of vanadium carbide and carbonitride coatingsrdquoMaterials Science and Engineering A vol 266 no 1-2pp 62ndash72 1999
[28] S A Hassanzadeh-Tabrizi ldquoHoma Hosseini Badr and SaraAlizadeh rdquoIn situ synthesis of vanadium carbide-coppernanocomposite by a modified mechanochemical combustionmethodrdquo Ceramics International vol 42 no 8pp 9371ndash9374 2016
[29] D Ferro J V Rau A Generosi V Rossi Albertini A Latiniand S M Barinov ldquoElectron beam deposited VC and NbCthin films on titanium hardness and energy-dispersive X-raydiffraction studyrdquo Surface and Coatings Technology vol 202no 10 pp 2162ndash2168 2008
[30] L BWang Z F Chen Y Zhang andW PWu InternationalJournal of Refractory Metals and Hard Materials p 20042009
[31] A Aouni P Weisbecker T Huu Loi and E Bauer-GrosseldquoSearch for new materials in sputtered V1-xCx filmsrdquo inSolid Films vol 469 pp 315ndash321 2004
[32] I Gutman B Ruscic N Trinajstic and C F Wilcox JrldquoGraph theory and molecular orbitals XII Acyclic polyenesrdquoe Journal of Chemical Physics vol 62 no 9 pp 3399ndash34051975
[33] N Nikolova and J Jaworska ldquoApproaches to measurechemical similarityndasha reviewrdquo QSAR amp Combinatorial Sci-ence vol 22 no 9-10 pp 1006ndash1026 2003
[34] E Estrada L Torres L Rodriguez and I Gutman ldquoAn atom-bond connectivity index modelling the enthalpy of formationof alkanesrdquo 1998
12 Journal of Chemistry
16000
14000
12000
10000
80001
6000
4000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1
mn
(a)
100000
80000
60000
40000
20000
Mβev
1 2 3 4 5 6 7 8 7 6 5 4 3 2 1n m
2
(b)
Figure 3 3D plot of (a) Mβve1 (VC[m n]) (b) Mβve
2 (VC[m n])
200
150
100
50
ABCv
e
1 2 3 4 5 6 7 8 910 9 8 7 6 5 4 3 2 1
mn
(a)
600
500
400
300
200
100
GAve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 4 3D plot of (a) ABCve(VC[m n]) (b) GAve(VC[m n])
353025201510
5
Hve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(a)
100
80
60
40
20
xve
1 2 3 4 5 6 7 8 9 10 9 8 7 6 5 4 3 2 1
mn
(b)
Figure 5 3D plot of (a) Hve(VC[m n]) (b) χve(VC[m n])
10 Journal of Chemistry
5 Conclusion
Graphs invariants are calculated by some well-known to-pological indices which are important tools for resemblingand forecasting the properties of chemical compounds inQSPRs and the QSARs e TI is a numerical measure thatrepresents the biological physical and chemical propertiesof molecules such as boiling melting and flickering pointmoisture and forming heat In this paper we have com-puted the ev degree and ve degree-based topological indiceswith graphical representations for the molecular structure ofvanadium carbide for a better understanding of pharma-ceutical physical chemical and biological properties
Data Availability
No data were used to support this study
Disclosure
is research was carried out as a part of employment of theauthors
Conflicts of Interest
e authors hereby declare that there are no conflicts ofinterest regarding the publication of this paper
References
[1] B Sahin and S Ediz ldquoOn ev-degree and ve-degree topo-logical indicesrdquo Iranian Journal of Mathematical Chemistryvol 9 no 4 pp 263ndash277 2018
[2] S Hosamani D Perigidad S Jamagoud Y Maled andS Gavade ldquoQSPR analysis of certain degree based topologicalindicesrdquo Journal of Statistics Applications amp Probability vol 6no 2 pp 361ndash371 2017
[3] S Ediz ldquoPredicting some physicochemical properties of oc-tane isomers a topological approach using ev-degree and ve-degree Zagreb indicesrdquo 2017 httpsuiadsabsharvardedulink_gateway2017arXiv170102859EarXiv170102859
[4] H Wiener ldquoStructural determination of paraffin boilingpointsrdquo Journal of the American Chemical Society vol 69no 1 pp 17ndash20 1947
[5] M Randic ldquoCharacterization of molecular branchingrdquoJournal of the American Chemical Society vol 97 no 23pp 6609ndash6615 1975
[6] I Gutman and N Trinajstic ldquoGraph theory and molecularorbitals Total φ-electron energy of alternant hydrocarbonsrdquoChemical Physics Letters vol 17 no 4 pp 535ndash538 1972
[7] S Ediz ldquoPredicting some physicochemical properties ofoctane isomers a topological approach using ev-degree andve-degree Zagreb indicesrdquo 2017
[8] Y-X Li A Rauf M Naeem M Ahsan Binyamin andA Aslam ldquordquoValency-based topological properties of linearhexagonal chain and hammer-like benzenoidrdquo Complexityp 2021 2021
[9] S-B Chen A Rauf M Ishtiaq M Naeem and A Aslam ldquoOnve-degree- and ev-degree-based topological properties ofcrystallographic structure of cuprite Cu2Ordquo Open Chemistryvol 19 no 1 pp 576ndash585 2021
[10] S Shirakol M Kalyanshetti M Sunilkumar and HosamanldquoQSPR analysis of certain distance based topological indicesrdquoApplied Mathematics and Nonlinear Sciences vol 4 no 2pp 371ndash386 2019
[11] S J Patel D Ng and M S Mannan ldquoQSPR flash pointprediction of solvents using topological indices for applicationin computer aided molecular designrdquo Industrial amp Engi-neering Chemistry Research vol 48 no 15 pp 7378ndash73872009
[12] J C Dearden ldquoe use of topological indices in QSAR andQSPR modelingrdquo in Advances in QSAR Modeling Challengesand Advances in Computational Chemistry and Physicspp 57ndash88 Springer Cham Switzerland 2017
[13] W Xing F Meng and R Yu ldquoA new type of vanadiumcarbide V5C3 and its hardening by tuning Fermi energyrdquoScientific Reports vol 6 no 1 pp 21794ndash21799 2016
[14] A VahidMohammadi A Hadjikhani S Shahbazmohamadiand M Beidaghi ldquoTwo-dimensional vanadium carbide(MXene) as a high-capacity cathode material for rechargeablealuminum batteriesrdquo ACS Nano vol 11 no 11pp 11135ndash11144 2017
[15] Y Guan S Jiang Y Cong et al ldquoA hydrofluoric acid-freesynthesis of 2D vanadium carbide (V2C) MXene for
70
60
50
40
30
20
10
Rve
2 4 6 8 10 12 14 12 10 8 6 4 2
mn
Figure 6 Graphical representation of Rve(VC[m n])
Journal of Chemistry 11
supercapacitor electrodesrdquo 2D Materials vol 7 no 2 ArticleID 025010 2020
[16] D Huang Y Xie D Lu et al ldquoDemonstration of a white laserwith V2C MXene-based quantum dotsrdquo Advanced Materialsvol 31 pp 1901117ndash24 2019
[17] D B West Introduction to Graph eory Vol 2 Prentice-Hall Upper Saddle River NJ USA 2001
[18] M Chellali T W Haynes S T Hedetniemi and T M LewisldquoOn ve-degrees and ev-degrees in graphsrdquo Discrete Mathe-matics vol 340 no 2 pp 31ndash38 2017
[19] A N A Koam A Ahmad and A A Ahamdini ldquoCompu-tation of vertex-edge degree based topological descriptors forhex-derived networksrdquo IEEE Access 2021
[20] E A Refaee and A Ahmad ldquoA study of hexagon star networkwith vertex-edge-based topological descriptorsrdquo Complexityvol 2021 2021
[21] A Ahmad ldquoComparative study of ve-degree and ev-degreetopological descriptors for benzene ring embedded in P-Type-Surface in 2D networkrdquo Polycyclic Aromatic Compoundspp 1ndash10 2020
[22] J Zhang M K Siddiqui A Rauf and M Ishtiaq ldquoOn ve-degree and ev-degree based topological properties of singlewalled titanium dioxide nanotuberdquo Journal of Cluster Sciencepp 1ndash12 2020
[23] B Horoldagva K Ch Das and T-A Selenge ldquoOn ve-Degreeand ev-Degree of Graphsrdquo Discrete Optimization vol 31pp 1ndash7 2019
[24] Te-H Fang S-R Jian and D-S Chuu ldquoNanomechanicalproperties of TiC TiN and TiCN thin films using scanningprobe microscopy and nanoindentationrdquo Applied SurfaceScience vol 228 no 1ndash4 pp 365ndash372 2004
[25] H G Prengel W R Pfouts and A T Santhanam ldquoState ofthe art in hard coatings for carbide cutting toolsrdquo Surface andCoatings Technology vol 102 no 3 pp 183ndash190 1998
[26] K H Lo F T Cheng C T Kwok and H Chung ManldquoMprovement of cavitation erosion resistance of AISI 316stainless steel by laser surface alloying using fineWC powderrdquoSurface and Coatings Technology vol 165 no 3 pp 258ndash2672003
[27] B Chicco W E Borbidge and E Summerville ldquoExperi-mental study of vanadium carbide and carbonitride coatingsrdquoMaterials Science and Engineering A vol 266 no 1-2pp 62ndash72 1999
[28] S A Hassanzadeh-Tabrizi ldquoHoma Hosseini Badr and SaraAlizadeh rdquoIn situ synthesis of vanadium carbide-coppernanocomposite by a modified mechanochemical combustionmethodrdquo Ceramics International vol 42 no 8pp 9371ndash9374 2016
[29] D Ferro J V Rau A Generosi V Rossi Albertini A Latiniand S M Barinov ldquoElectron beam deposited VC and NbCthin films on titanium hardness and energy-dispersive X-raydiffraction studyrdquo Surface and Coatings Technology vol 202no 10 pp 2162ndash2168 2008
[30] L BWang Z F Chen Y Zhang andW PWu InternationalJournal of Refractory Metals and Hard Materials p 20042009
[31] A Aouni P Weisbecker T Huu Loi and E Bauer-GrosseldquoSearch for new materials in sputtered V1-xCx filmsrdquo inSolid Films vol 469 pp 315ndash321 2004
[32] I Gutman B Ruscic N Trinajstic and C F Wilcox JrldquoGraph theory and molecular orbitals XII Acyclic polyenesrdquoe Journal of Chemical Physics vol 62 no 9 pp 3399ndash34051975
[33] N Nikolova and J Jaworska ldquoApproaches to measurechemical similarityndasha reviewrdquo QSAR amp Combinatorial Sci-ence vol 22 no 9-10 pp 1006ndash1026 2003
[34] E Estrada L Torres L Rodriguez and I Gutman ldquoAn atom-bond connectivity index modelling the enthalpy of formationof alkanesrdquo 1998
12 Journal of Chemistry
5 Conclusion
Graphs invariants are calculated by some well-known to-pological indices which are important tools for resemblingand forecasting the properties of chemical compounds inQSPRs and the QSARs e TI is a numerical measure thatrepresents the biological physical and chemical propertiesof molecules such as boiling melting and flickering pointmoisture and forming heat In this paper we have com-puted the ev degree and ve degree-based topological indiceswith graphical representations for the molecular structure ofvanadium carbide for a better understanding of pharma-ceutical physical chemical and biological properties
Data Availability
No data were used to support this study
Disclosure
is research was carried out as a part of employment of theauthors
Conflicts of Interest
e authors hereby declare that there are no conflicts ofinterest regarding the publication of this paper
References
[1] B Sahin and S Ediz ldquoOn ev-degree and ve-degree topo-logical indicesrdquo Iranian Journal of Mathematical Chemistryvol 9 no 4 pp 263ndash277 2018
[2] S Hosamani D Perigidad S Jamagoud Y Maled andS Gavade ldquoQSPR analysis of certain degree based topologicalindicesrdquo Journal of Statistics Applications amp Probability vol 6no 2 pp 361ndash371 2017
[3] S Ediz ldquoPredicting some physicochemical properties of oc-tane isomers a topological approach using ev-degree and ve-degree Zagreb indicesrdquo 2017 httpsuiadsabsharvardedulink_gateway2017arXiv170102859EarXiv170102859
[4] H Wiener ldquoStructural determination of paraffin boilingpointsrdquo Journal of the American Chemical Society vol 69no 1 pp 17ndash20 1947
[5] M Randic ldquoCharacterization of molecular branchingrdquoJournal of the American Chemical Society vol 97 no 23pp 6609ndash6615 1975
[6] I Gutman and N Trinajstic ldquoGraph theory and molecularorbitals Total φ-electron energy of alternant hydrocarbonsrdquoChemical Physics Letters vol 17 no 4 pp 535ndash538 1972
[7] S Ediz ldquoPredicting some physicochemical properties ofoctane isomers a topological approach using ev-degree andve-degree Zagreb indicesrdquo 2017
[8] Y-X Li A Rauf M Naeem M Ahsan Binyamin andA Aslam ldquordquoValency-based topological properties of linearhexagonal chain and hammer-like benzenoidrdquo Complexityp 2021 2021
[9] S-B Chen A Rauf M Ishtiaq M Naeem and A Aslam ldquoOnve-degree- and ev-degree-based topological properties ofcrystallographic structure of cuprite Cu2Ordquo Open Chemistryvol 19 no 1 pp 576ndash585 2021
[10] S Shirakol M Kalyanshetti M Sunilkumar and HosamanldquoQSPR analysis of certain distance based topological indicesrdquoApplied Mathematics and Nonlinear Sciences vol 4 no 2pp 371ndash386 2019
[11] S J Patel D Ng and M S Mannan ldquoQSPR flash pointprediction of solvents using topological indices for applicationin computer aided molecular designrdquo Industrial amp Engi-neering Chemistry Research vol 48 no 15 pp 7378ndash73872009
[12] J C Dearden ldquoe use of topological indices in QSAR andQSPR modelingrdquo in Advances in QSAR Modeling Challengesand Advances in Computational Chemistry and Physicspp 57ndash88 Springer Cham Switzerland 2017
[13] W Xing F Meng and R Yu ldquoA new type of vanadiumcarbide V5C3 and its hardening by tuning Fermi energyrdquoScientific Reports vol 6 no 1 pp 21794ndash21799 2016
[14] A VahidMohammadi A Hadjikhani S Shahbazmohamadiand M Beidaghi ldquoTwo-dimensional vanadium carbide(MXene) as a high-capacity cathode material for rechargeablealuminum batteriesrdquo ACS Nano vol 11 no 11pp 11135ndash11144 2017
[15] Y Guan S Jiang Y Cong et al ldquoA hydrofluoric acid-freesynthesis of 2D vanadium carbide (V2C) MXene for
70
60
50
40
30
20
10
Rve
2 4 6 8 10 12 14 12 10 8 6 4 2
mn
Figure 6 Graphical representation of Rve(VC[m n])
Journal of Chemistry 11
supercapacitor electrodesrdquo 2D Materials vol 7 no 2 ArticleID 025010 2020
[16] D Huang Y Xie D Lu et al ldquoDemonstration of a white laserwith V2C MXene-based quantum dotsrdquo Advanced Materialsvol 31 pp 1901117ndash24 2019
[17] D B West Introduction to Graph eory Vol 2 Prentice-Hall Upper Saddle River NJ USA 2001
[18] M Chellali T W Haynes S T Hedetniemi and T M LewisldquoOn ve-degrees and ev-degrees in graphsrdquo Discrete Mathe-matics vol 340 no 2 pp 31ndash38 2017
[19] A N A Koam A Ahmad and A A Ahamdini ldquoCompu-tation of vertex-edge degree based topological descriptors forhex-derived networksrdquo IEEE Access 2021
[20] E A Refaee and A Ahmad ldquoA study of hexagon star networkwith vertex-edge-based topological descriptorsrdquo Complexityvol 2021 2021
[21] A Ahmad ldquoComparative study of ve-degree and ev-degreetopological descriptors for benzene ring embedded in P-Type-Surface in 2D networkrdquo Polycyclic Aromatic Compoundspp 1ndash10 2020
[22] J Zhang M K Siddiqui A Rauf and M Ishtiaq ldquoOn ve-degree and ev-degree based topological properties of singlewalled titanium dioxide nanotuberdquo Journal of Cluster Sciencepp 1ndash12 2020
[23] B Horoldagva K Ch Das and T-A Selenge ldquoOn ve-Degreeand ev-Degree of Graphsrdquo Discrete Optimization vol 31pp 1ndash7 2019
[24] Te-H Fang S-R Jian and D-S Chuu ldquoNanomechanicalproperties of TiC TiN and TiCN thin films using scanningprobe microscopy and nanoindentationrdquo Applied SurfaceScience vol 228 no 1ndash4 pp 365ndash372 2004
[25] H G Prengel W R Pfouts and A T Santhanam ldquoState ofthe art in hard coatings for carbide cutting toolsrdquo Surface andCoatings Technology vol 102 no 3 pp 183ndash190 1998
[26] K H Lo F T Cheng C T Kwok and H Chung ManldquoMprovement of cavitation erosion resistance of AISI 316stainless steel by laser surface alloying using fineWC powderrdquoSurface and Coatings Technology vol 165 no 3 pp 258ndash2672003
[27] B Chicco W E Borbidge and E Summerville ldquoExperi-mental study of vanadium carbide and carbonitride coatingsrdquoMaterials Science and Engineering A vol 266 no 1-2pp 62ndash72 1999
[28] S A Hassanzadeh-Tabrizi ldquoHoma Hosseini Badr and SaraAlizadeh rdquoIn situ synthesis of vanadium carbide-coppernanocomposite by a modified mechanochemical combustionmethodrdquo Ceramics International vol 42 no 8pp 9371ndash9374 2016
[29] D Ferro J V Rau A Generosi V Rossi Albertini A Latiniand S M Barinov ldquoElectron beam deposited VC and NbCthin films on titanium hardness and energy-dispersive X-raydiffraction studyrdquo Surface and Coatings Technology vol 202no 10 pp 2162ndash2168 2008
[30] L BWang Z F Chen Y Zhang andW PWu InternationalJournal of Refractory Metals and Hard Materials p 20042009
[31] A Aouni P Weisbecker T Huu Loi and E Bauer-GrosseldquoSearch for new materials in sputtered V1-xCx filmsrdquo inSolid Films vol 469 pp 315ndash321 2004
[32] I Gutman B Ruscic N Trinajstic and C F Wilcox JrldquoGraph theory and molecular orbitals XII Acyclic polyenesrdquoe Journal of Chemical Physics vol 62 no 9 pp 3399ndash34051975
[33] N Nikolova and J Jaworska ldquoApproaches to measurechemical similarityndasha reviewrdquo QSAR amp Combinatorial Sci-ence vol 22 no 9-10 pp 1006ndash1026 2003
[34] E Estrada L Torres L Rodriguez and I Gutman ldquoAn atom-bond connectivity index modelling the enthalpy of formationof alkanesrdquo 1998
12 Journal of Chemistry
supercapacitor electrodesrdquo 2D Materials vol 7 no 2 ArticleID 025010 2020
[16] D Huang Y Xie D Lu et al ldquoDemonstration of a white laserwith V2C MXene-based quantum dotsrdquo Advanced Materialsvol 31 pp 1901117ndash24 2019
[17] D B West Introduction to Graph eory Vol 2 Prentice-Hall Upper Saddle River NJ USA 2001
[18] M Chellali T W Haynes S T Hedetniemi and T M LewisldquoOn ve-degrees and ev-degrees in graphsrdquo Discrete Mathe-matics vol 340 no 2 pp 31ndash38 2017
[19] A N A Koam A Ahmad and A A Ahamdini ldquoCompu-tation of vertex-edge degree based topological descriptors forhex-derived networksrdquo IEEE Access 2021
[20] E A Refaee and A Ahmad ldquoA study of hexagon star networkwith vertex-edge-based topological descriptorsrdquo Complexityvol 2021 2021
[21] A Ahmad ldquoComparative study of ve-degree and ev-degreetopological descriptors for benzene ring embedded in P-Type-Surface in 2D networkrdquo Polycyclic Aromatic Compoundspp 1ndash10 2020
[22] J Zhang M K Siddiqui A Rauf and M Ishtiaq ldquoOn ve-degree and ev-degree based topological properties of singlewalled titanium dioxide nanotuberdquo Journal of Cluster Sciencepp 1ndash12 2020
[23] B Horoldagva K Ch Das and T-A Selenge ldquoOn ve-Degreeand ev-Degree of Graphsrdquo Discrete Optimization vol 31pp 1ndash7 2019
[24] Te-H Fang S-R Jian and D-S Chuu ldquoNanomechanicalproperties of TiC TiN and TiCN thin films using scanningprobe microscopy and nanoindentationrdquo Applied SurfaceScience vol 228 no 1ndash4 pp 365ndash372 2004
[25] H G Prengel W R Pfouts and A T Santhanam ldquoState ofthe art in hard coatings for carbide cutting toolsrdquo Surface andCoatings Technology vol 102 no 3 pp 183ndash190 1998
[26] K H Lo F T Cheng C T Kwok and H Chung ManldquoMprovement of cavitation erosion resistance of AISI 316stainless steel by laser surface alloying using fineWC powderrdquoSurface and Coatings Technology vol 165 no 3 pp 258ndash2672003
[27] B Chicco W E Borbidge and E Summerville ldquoExperi-mental study of vanadium carbide and carbonitride coatingsrdquoMaterials Science and Engineering A vol 266 no 1-2pp 62ndash72 1999
[28] S A Hassanzadeh-Tabrizi ldquoHoma Hosseini Badr and SaraAlizadeh rdquoIn situ synthesis of vanadium carbide-coppernanocomposite by a modified mechanochemical combustionmethodrdquo Ceramics International vol 42 no 8pp 9371ndash9374 2016
[29] D Ferro J V Rau A Generosi V Rossi Albertini A Latiniand S M Barinov ldquoElectron beam deposited VC and NbCthin films on titanium hardness and energy-dispersive X-raydiffraction studyrdquo Surface and Coatings Technology vol 202no 10 pp 2162ndash2168 2008
[30] L BWang Z F Chen Y Zhang andW PWu InternationalJournal of Refractory Metals and Hard Materials p 20042009
[31] A Aouni P Weisbecker T Huu Loi and E Bauer-GrosseldquoSearch for new materials in sputtered V1-xCx filmsrdquo inSolid Films vol 469 pp 315ndash321 2004
[32] I Gutman B Ruscic N Trinajstic and C F Wilcox JrldquoGraph theory and molecular orbitals XII Acyclic polyenesrdquoe Journal of Chemical Physics vol 62 no 9 pp 3399ndash34051975
[33] N Nikolova and J Jaworska ldquoApproaches to measurechemical similarityndasha reviewrdquo QSAR amp Combinatorial Sci-ence vol 22 no 9-10 pp 1006ndash1026 2003
[34] E Estrada L Torres L Rodriguez and I Gutman ldquoAn atom-bond connectivity index modelling the enthalpy of formationof alkanesrdquo 1998
12 Journal of Chemistry