Entropy Related to K-Banhatti Indices via Valency Based on the Presence of C6H6 in Various Molecules

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Ghani M. U., Campena F. J. H., Maqbool M. K., Liu J., Dehraj S., Cancan M., ...More

Molecules, vol.28, no.1, 2023 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 28 Issue: 1
  • Publication Date: 2023
  • Doi Number: 10.3390/molecules28010452
  • Journal Name: Molecules
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Biotechnology Research Abstracts, CAB Abstracts, Chemical Abstracts Core, Communication Abstracts, EMBASE, Food Science & Technology Abstracts, MEDLINE, Metadex, Veterinary Science Database, Directory of Open Access Journals, Civil Engineering Abstracts
  • Keywords: C6H6 embedded in pyrene network, C6H6 embedded in circumnaphthalene network, C6H6 embedded in honeycomb network, K-Banhatti entropies
  • Van Yüzüncü Yıl University Affiliated: Yes

Abstract

© 2023 by the authors.Entropy is a measure of a system’s molecular disorder or unpredictability since work is produced by organized molecular motion. Shannon’s entropy metric is applied to represent a random graph’s variability. Entropy is a thermodynamic function in physics that, based on the variety of possible configurations for molecules to take, describes the randomness and disorder of molecules in a given system or process. Numerous issues in the fields of mathematics, biology, chemical graph theory, organic and inorganic chemistry, and other disciplines are resolved using distance-based entropy. These applications cover quantifying molecules’ chemical and electrical structures, signal processing, structural investigations on crystals, and molecular ensembles. In this paper, we look at K-Banhatti entropies using K-Banhatti indices for (Formula presented.) embedded in different chemical networks. Our goal is to investigate the valency-based molecular invariants and K-Banhatti entropies for three chemical networks: the circumnaphthalene ((Formula presented.)), the honeycomb ((Formula presented.)), and the pyrene ((Formula presented.)). In order to reach conclusions, we apply the method of atom-bond partitioning based on valences, which is an application of spectral graph theory. We obtain the precise values of the first K-Banhatti entropy, the second K-Banhatti entropy, the first hyper K-Banhatti entropy, and the second hyper K-Banhatti entropy for the three chemical networks in the main results and conclusion.