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On topological indices and entropies of diamond structure.

Authors :
Ishfaq, Faiza
Nadeem, Muhammad Faisal
El‐Bahy, Zeinhom M.
Source :
International Journal of Quantum Chemistry. 11/5/2023, Vol. 123 Issue 21, p1-11. 11p.
Publication Year :
2023

Abstract

A topological index is a numerical parameter that represents the molecular structure of a compound based on its graph‐theoretical properties. It provides a means to describe the structure‐activity relationship, as well as the physicochemical properties of the compound. Topological indices are used in various scientific fields, including chemistry, biology, and computer science, to study and predict the behavior of molecules. In this study, we concentrate on the calculation of M‐polynomials and entropy for the allotropic form of carbon, diamond. Algebraic operations are applied to these polynomials to obtain degree‐dependent topological invariants. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00207608
Volume :
123
Issue :
21
Database :
Academic Search Index
Journal :
International Journal of Quantum Chemistry
Publication Type :
Academic Journal
Accession number :
171852940
Full Text :
https://doi.org/10.1002/qua.27207