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Neighbourhood Sum Degree-Based Indices and Entropy Measures for Certain Family of Graphene Molecules

A topological index (TI) is a real number that defines the relationship between a chemical structure and its properties and remains invariant under graph isomorphism. TIs defined for chemical structures are capable of predicting physical properties, chemical reactivity and biological activity. Sever...

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Detalles Bibliográficos
Autores principales: Yang, Jun, Konsalraj, Julietraja, Raja S., Arul Amirtha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9822020/
https://www.ncbi.nlm.nih.gov/pubmed/36615362
http://dx.doi.org/10.3390/molecules28010168
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author Yang, Jun
Konsalraj, Julietraja
Raja S., Arul Amirtha
author_facet Yang, Jun
Konsalraj, Julietraja
Raja S., Arul Amirtha
author_sort Yang, Jun
collection PubMed
description A topological index (TI) is a real number that defines the relationship between a chemical structure and its properties and remains invariant under graph isomorphism. TIs defined for chemical structures are capable of predicting physical properties, chemical reactivity and biological activity. Several kinds of TIs have been defined and studied for different molecular structures. Graphene is the thinnest material known to man and is also extremely strong while being a good conductor of heat and electricity. With such unique features, graphene and its derivatives have found commercial uses and have also fascinated theoretical chemists. In this article, the neighbourhood sum degree-based M-polynomial and entropy measures have been computed for graphene, graphyne and graphdiyne structures. The proper analytical expressions for these indices are derived. The obtained results will enable theoretical chemists to study these exciting structures further from a structural perspective.
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spelling pubmed-98220202023-01-07 Neighbourhood Sum Degree-Based Indices and Entropy Measures for Certain Family of Graphene Molecules Yang, Jun Konsalraj, Julietraja Raja S., Arul Amirtha Molecules Article A topological index (TI) is a real number that defines the relationship between a chemical structure and its properties and remains invariant under graph isomorphism. TIs defined for chemical structures are capable of predicting physical properties, chemical reactivity and biological activity. Several kinds of TIs have been defined and studied for different molecular structures. Graphene is the thinnest material known to man and is also extremely strong while being a good conductor of heat and electricity. With such unique features, graphene and its derivatives have found commercial uses and have also fascinated theoretical chemists. In this article, the neighbourhood sum degree-based M-polynomial and entropy measures have been computed for graphene, graphyne and graphdiyne structures. The proper analytical expressions for these indices are derived. The obtained results will enable theoretical chemists to study these exciting structures further from a structural perspective. MDPI 2022-12-25 /pmc/articles/PMC9822020/ /pubmed/36615362 http://dx.doi.org/10.3390/molecules28010168 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Yang, Jun
Konsalraj, Julietraja
Raja S., Arul Amirtha
Neighbourhood Sum Degree-Based Indices and Entropy Measures for Certain Family of Graphene Molecules
title Neighbourhood Sum Degree-Based Indices and Entropy Measures for Certain Family of Graphene Molecules
title_full Neighbourhood Sum Degree-Based Indices and Entropy Measures for Certain Family of Graphene Molecules
title_fullStr Neighbourhood Sum Degree-Based Indices and Entropy Measures for Certain Family of Graphene Molecules
title_full_unstemmed Neighbourhood Sum Degree-Based Indices and Entropy Measures for Certain Family of Graphene Molecules
title_short Neighbourhood Sum Degree-Based Indices and Entropy Measures for Certain Family of Graphene Molecules
title_sort neighbourhood sum degree-based indices and entropy measures for certain family of graphene molecules
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9822020/
https://www.ncbi.nlm.nih.gov/pubmed/36615362
http://dx.doi.org/10.3390/molecules28010168
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