Expected values of some molecular descriptors in random cyclooctane chains

Zahid Raza, Muhammad Imran

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)

Abstract

The modified second Zagreb index, symmetric difference index, inverse symmetric index, and augmented Zagreb index are among the molecular descriptors which have good correlations with some physicochemical properties (such as formation heat, total surface area, etc.) of chemical compounds. By a random cyclooctane chain, we mean a molecular graph of a saturated hydrocarbon containing at least two rings such that all rings are cyclooctane, every ring is joint with at most two other rings through a single bond, and exactly two rings are joint with one other ring. In this article, our main purpose is to determine the expected values of the aforementioned molecular descriptors of random cyclooctane chains explicitly. We also make comparisons in the form of explicit formulae and numerical tables consisting of the expected values of the considered descriptors of random cyclooctane chains. Moreover, we outline the graphical profiles of these comparisons among the mentioned descriptors.

Original languageEnglish
Article number2197
JournalSymmetry
Volume13
Issue number11
DOIs
Publication statusPublished - Nov 2021

Keywords

  • Augmented Zagreb index
  • Comparisons
  • Cycloalkane
  • Expected values
  • Graphical representation
  • Inverse symmetric index
  • Modified Zagreb index
  • Random cyclooctane chain
  • Symmetric difference index

ASJC Scopus subject areas

  • Computer Science (miscellaneous)
  • Chemistry (miscellaneous)
  • General Mathematics
  • Physics and Astronomy (miscellaneous)

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