Molecular description of carbon graphite and crystal cubic carbon structures
Creators
- 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-2017-0083Additional 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.