On topological properties of certain boron nanostructures

Usman Ali, Abdul Qudair Baig, Muhammad Imran, Ghulam Abbas, Muhammad Asif

Research output: Contribution to journalArticlepeer-review

Abstract

Topological indices are numerical parameters of a graph which characterize its topology and are usually graph invariant. In QSAR/QSPR study, physico-chemical properties and topological indices such as Randić, atom-bond connectivity ABC and geometric-arithmetic (GA) index are used to predict the bioactivity of chemical compounds. Graph theory has found a considerable use in this area of research. In this paper, we study and derive analytical closed results of general Randić index RG, Boron triangular sheet BTSmn, Borophene chain of B36n and Melem chain nanotube MCn. We also compute the general first Zagreb, ABC, GA, ABC4 and GA5 indices for sheet and chains for the first time and give closed formulas of these degree based indices.

Original languageEnglish
Pages (from-to)887-898
Number of pages12
JournalJournal of Computational and Theoretical Nanoscience
Volume14
Issue number2
DOIs
Publication statusPublished - Feb 2017

Keywords

  • Atom-Bond Connectivity (ABC) Index
  • Boron Triangular Sheet
  • Borophene
  • General Randić Index
  • Geometric-Arithmetic (GA) Index
  • Melem Chain

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Computational Mathematics
  • Electrical and Electronic Engineering

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