Molecular description of carbon graphite and crystal cubic carbon structures

被引:46
作者
Baig, Abdul Qudair [1 ]
Imran, Muhammad [2 ,3 ]
Khalid, Waqas [1 ]
Naeem, Muhammad [4 ]
机构
[1] COMSATS Inst Informat Technol, Dept Math, Attock, Pakistan
[2] United Arab Emirates Univ, Dept Math Sci, POB 15551, Al Ain, U Arab Emirates
[3] Natl Univ Sci & Technol, Sch Nat Sci, Sect H-12, Islamabad, Pakistan
[4] COMSATS Inst Informat Technol, Dept Math, Sahiwal, Pakistan
关键词
molecular descriptors; carbon graphite; crystal cubic carbon; atom bond connectivity index; geometric arithmetic index; general Randic index; ABC(4); GA(5); BOND CONNECTIVITY INDEX; DEGREE BID INDEXES; TOPOLOGICAL INDEXES; VERTEX-CONNECTIVITY; COMPUTATION; NANOTUBES; CHAINS;
D O I
10.1139/cjc-2017-0083
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Graph theory plays a vital role in modeling and designing any chemical structure or chemical network. Chemical graph theory helps in understanding the molecular structural properties of a molecular graph. The molecular graph consists of atoms called vertices and chemical bonds between atoms called edges. In this article, we study the chemical graphs of carbon graphite and crystal structure of cubic carbon. Moreover, we compute and give closed formulas of degree-based additive topological indices, mainly the first and second Zagreb indexes, general Randic index, atom bond connectivity index, geometric arithmetic index, fourth atom bond connectivity index, and fifth geometric arithmetic index of carbon graphite denoted by CG( m, n) for t levels, and crystal structure cubic carbon denoted for n levels.
引用
收藏
页码:674 / 686
页数:13
相关论文
共 30 条
[1]  
Ali A, 2016, B IRAN MATH SOC, V42, P417
[2]  
Ali A., 2016, Quant. Mat., V5, P534
[3]  
Ali A, 2016, KUWAIT J SCI, V43, P11
[4]   Extremal pentagonal chains with respect to bond incident degree indices [J].
Ali, Akbar ;
Raza, Zahid ;
Bhatti, Akhlaq Ahmad .
CANADIAN JOURNAL OF CHEMISTRY, 2016, 94 (10) :870-876
[5]   Bond incident degree (BID) indices of polyomino chains: A unified approach [J].
Ali, Akbar ;
Raza, Zahid ;
Bhatti, Akhlaq Ahmad .
APPLIED MATHEMATICS AND COMPUTATION, 2016, 287 :28-37
[6]  
Ali A, 2016, OPTOELECTRON ADV MAT, V10, P108
[7]   The vertex-connectivity index revisited [J].
Amic, D ;
Beslo, D ;
Lucic, B ;
Nikolic, S ;
Trinajstic, N .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1998, 38 (05) :819-822
[8]  
[Anonymous], 2012, HDB CARBON GRAPHITE
[9]   On topological indices of poly oxide, poly silicate, DOX, and DSL networks [J].
Baig, Abdul Qudair ;
Imran, Muhammad ;
Ali, Haidar .
CANADIAN JOURNAL OF CHEMISTRY, 2015, 93 (07) :730-739
[10]  
Bollobás B, 1998, ARS COMBINATORIA, V50, P225