Molecular topological invariants of certain chemical networks

Syed Ahtsham Ul Haq Bokhary, Muhammad Imran, Shehnaz Akhter, Sadia Manzoor

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

Topological descriptors are the graph invariants that are used to explore the molecular topology of the molecular/chemical graphs. In QSAR/QSPR research, physico-chemical characteristics and topological invariants including Randić, atom-bond connectivity, and geometric arithmetic invariants are utilized to corelate and estimate the structure relationship and bioactivity of certain chemical compounds. Graph theory and discrete mathematics have discovered an impressive utilization in the area of research. In this article, we investigate the valency-depended invariants for certain chemical networks like generalized Aztec diamonds and tetrahedral diamond lattice. Moreover, the exact values of invariants for these categories of chemical networks are derived.

Original languageEnglish
Pages (from-to)141-149
Number of pages9
JournalMain Group Metal Chemistry
Volume44
Issue number1
DOIs
Publication statusPublished - Jan 1 2021

Keywords

  • atom-bond connectivit index
  • generalized Aztec diamond
  • geometric-arithmetic index
  • tetrahedral diamond lattice

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Metals and Alloys
  • Materials Chemistry

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