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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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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. |
format | Online Article Text |
id | pubmed-9822020 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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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