Topological analysis of carbon and boron nitride nanotubes

Graph theoretical concepts are broadly used in several fields to examine and model various applications. In computational chemistry, the characteristics of a molecular compound can be assessed with the help of a numerical value, known as a topological index. Topological indices are extensively used...

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Autores principales: Yousaf, Awais, Alolaiyan, Hanan, Nadeem, Muhammad, Razaq, Abdul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6992812/
https://www.ncbi.nlm.nih.gov/pubmed/32001754
http://dx.doi.org/10.1038/s41598-020-58372-1
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author Yousaf, Awais
Alolaiyan, Hanan
Nadeem, Muhammad
Razaq, Abdul
author_facet Yousaf, Awais
Alolaiyan, Hanan
Nadeem, Muhammad
Razaq, Abdul
author_sort Yousaf, Awais
collection PubMed
description Graph theoretical concepts are broadly used in several fields to examine and model various applications. In computational chemistry, the characteristics of a molecular compound can be assessed with the help of a numerical value, known as a topological index. Topological indices are extensively used to study the molecular mechanics in QSAR and QSPR modeling. In this study, we have developed the closed formulae to estimate ABC, ABC(4), GA, and GA(5) topological indices for the graphical structures of boron nitride and carbon nanotube.
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spelling pubmed-69928122020-02-05 Topological analysis of carbon and boron nitride nanotubes Yousaf, Awais Alolaiyan, Hanan Nadeem, Muhammad Razaq, Abdul Sci Rep Article Graph theoretical concepts are broadly used in several fields to examine and model various applications. In computational chemistry, the characteristics of a molecular compound can be assessed with the help of a numerical value, known as a topological index. Topological indices are extensively used to study the molecular mechanics in QSAR and QSPR modeling. In this study, we have developed the closed formulae to estimate ABC, ABC(4), GA, and GA(5) topological indices for the graphical structures of boron nitride and carbon nanotube. Nature Publishing Group UK 2020-01-30 /pmc/articles/PMC6992812/ /pubmed/32001754 http://dx.doi.org/10.1038/s41598-020-58372-1 Text en © The Author(s) 2020 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Yousaf, Awais
Alolaiyan, Hanan
Nadeem, Muhammad
Razaq, Abdul
Topological analysis of carbon and boron nitride nanotubes
title Topological analysis of carbon and boron nitride nanotubes
title_full Topological analysis of carbon and boron nitride nanotubes
title_fullStr Topological analysis of carbon and boron nitride nanotubes
title_full_unstemmed Topological analysis of carbon and boron nitride nanotubes
title_short Topological analysis of carbon and boron nitride nanotubes
title_sort topological analysis of carbon and boron nitride nanotubes
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6992812/
https://www.ncbi.nlm.nih.gov/pubmed/32001754
http://dx.doi.org/10.1038/s41598-020-58372-1
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