Molecular description of carbon graphite and crystal cubic carbon structures

Abdul Qudair Baig, Muhammad Imran, Waqas Khalid, Muhammad Naeem

Research output: Contribution to journalArticlepeer-review

41 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)674-686
Number of pages13
JournalCanadian Journal of Chemistry
Volume95
Issue number6
DOIs
Publication statusPublished - 2017

Keywords

  • ABC
  • Atom bond connectivity index
  • Carbon graphite
  • Crystal cubic carbon
  • GA
  • General Randi index
  • Geometric arithmetic index
  • Molecular descriptors

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Organic Chemistry

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