Published June 2017 | Version v1
Journal article

Molecular description of carbon graphite and crystal cubic carbon structures

  • 1. COMSATS Inst. of Information Technology, Dept. of Mathematics, Attock (Pakistan)
  • 2. National Univ. of Sciences and Technology, School of Natural Sciences, Islamabad (Pakistan)
  • 3. United Arab Emirates Univ., Dept. of Mathematical Sciences, Al Ain, (United Arab Emirates)
  • 4. COMSATS Inst. of Information Technology, Dept. of Mathematics, Sahiwal (Pakistan)

Description

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. (author)

Availability note (English)

Available from doi: https://doi.org/10.1139/cjc-2017-0083

Additional details

Identifiers

Publishing Information

Journal Title
Canadian Journal of Chemistry
Journal Volume
95
Journal Issue
6
Journal Page Range
p. 674-686
ISSN
0008-4042

INIS

Country of Publication
Canada
Country of Input or Organization
Canada
INIS RN
51001215
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
CHEMICAL BONDS; COMPUTERIZED SIMULATION; CRYSTAL STRUCTURE; GRAPH THEORY; GRAPHITE; MOLECULAR STRUCTURE
Descriptors DEC
CARBON; ELEMENTS; MATHEMATICS; MINERALS; NONMETALS; SIMULATION

Optional Information

Notes
30 refs., 4 tabs., 8 figs.