On degree-based and frustration related topological indices of single-walled titania nanotubes

Li Yan, Yingfang Li, Sakander Hayat, Hafiz Muhammad Afzal Siddiqui, Muhammad Imran, Sarfraz Ahmad, Mohammad Reza Farahani

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)


In theoretical and computational chemistry, a molecular descriptor is a numerical representation of a chemical structure while a topological descriptor correlates certain physico-chemical characteristics of underlying chemical compounds besides its numerical representation. Valency based topological descriptors like atom-bond connectivity index and geometric-arithmetic index play an important role in the stability analysis of linear alkanes. The prediction power of frustration indices for stability of various chemical and nanostructures like fullerenes is better then some valency based topological descriptors. In this paper, certain valency based and frustration related topological descriptors for titania nanotubes are studied.

Original languageEnglish
Pages (from-to)9027-9032
Number of pages6
JournalJournal of Computational and Theoretical Nanoscience
Issue number11
Publication statusPublished - 2016


  • Atom-bond connectivity index
  • Bipartite edge frustration index
  • Bipartite vertex frustration index
  • Geometric-arithmetic index
  • Titania nanotubes

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics
  • Computational Mathematics
  • Electrical and Electronic Engineering


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