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On Rational Curve Fitting between Topological Indices and Entropy Measures for Graphite Carbon Nitride

  • Zheng Qing Chu
  • , Muhammad Kamran Siddiqui*
  • , Shazia Manzoor
  • , Syed Ajaz K. Kirmani
  • , Muhammad Farhan Hanif
  • , Mehwish Hussain Muhammad
  • *Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

21 Scopus citations

Abstract

Due to its metal-free and visible-light responsive nature, as well as attractive electrical band structure and excellent physicochemical stability, graphitic carbon nitride has become a new multidisciplinary research hot point. In the field of environmental remediation and energy applications, this interesting semiconductor conjugated polymer is regarded as a viable material for capturing clean and unlimited solar energy. We Used information entropy introduced by Shannon to measure the complexity of the underlying graph. Configuration entropy of glass-forming liquids or thermodynamic entropy of enzyme-substrate complexations are examples of thermodynamic entropy used in molecular dynamics investigations on complex chemical systems. In this article, we computed some degree-based entropies calculated from topological indices. The numerical and graphical depiction of computed results was combined with curve fitting between calculated information entropies and topological indices. The underlying framework is built on topological indices, which provide a full picture of potentially important features that could be beneficial in structural modification of (g- (Formula presented.)) for certain applications.

Original languageEnglish
Pages (from-to)2553-2570
Number of pages18
JournalPolycyclic Aromatic Compounds
Volume43
Issue number3
DOIs
StatePublished - 2023
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2022 Taylor & Francis Group, LLC.

Keywords

  • atomic bond connectivity index
  • Entropy
  • general Randi index
  • geometric arithmetic index
  • graphite carbon nitride g-
  • topological indices
  • Zagreb type indices

ASJC Scopus subject areas

  • Organic Chemistry
  • Polymers and Plastics
  • Materials Chemistry

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