TY - JOUR
T1 - Molecular description of carbon graphite and crystal cubic carbon structures
AU - Baig, Abdul Qudair
AU - Imran, Muhammad
AU - Khalid, Waqas
AU - Naeem, Muhammad
N1 - Funding Information:
This research is supported by the Start-up Research Grant 2016 of United Arab Emirates University, Al Ain, United Arab Emirates (grant No. G00002233).
Publisher Copyright:
© 2017 Published by NRC Research Press.
PY - 2017
Y1 - 2017
N2 - 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 Randi 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.
AB - 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 Randi 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.
KW - ABC
KW - Atom bond connectivity index
KW - Carbon graphite
KW - Crystal cubic carbon
KW - GA
KW - General Randi index
KW - Geometric arithmetic index
KW - Molecular descriptors
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U2 - 10.1139/cjc-2017-0083
DO - 10.1139/cjc-2017-0083
M3 - Article
AN - SCOPUS:85020051171
SN - 0008-4042
VL - 95
SP - 674
EP - 686
JO - Canadian Journal of Chemistry
JF - Canadian Journal of Chemistry
IS - 6
ER -