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Mathematical analysis and molecular descriptors of two novel metal–organic models with chemical applications

Metal–Organic Networks (MONs) are made by chemical molecules that contain metal ions and organic ligands. A crystalline porous solid called Metal–Organic Networks (MONs) is made up of a [Formula: see text] metal network of ions held in place by a multidentate ligand. (MONs) can be used for gas stora...

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Autores principales: Zaman, Shahid, Jalani, Mehwish, Ullah, Asad, Ahmad, Wakeel, Saeedi, Ghulamullah
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10066202/
https://www.ncbi.nlm.nih.gov/pubmed/37002273
http://dx.doi.org/10.1038/s41598-023-32347-4
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author Zaman, Shahid
Jalani, Mehwish
Ullah, Asad
Ahmad, Wakeel
Saeedi, Ghulamullah
author_facet Zaman, Shahid
Jalani, Mehwish
Ullah, Asad
Ahmad, Wakeel
Saeedi, Ghulamullah
author_sort Zaman, Shahid
collection PubMed
description Metal–Organic Networks (MONs) are made by chemical molecules that contain metal ions and organic ligands. A crystalline porous solid called Metal–Organic Networks (MONs) is made up of a [Formula: see text] metal network of ions held in place by a multidentate ligand. (MONs) can be used for gas storage, purification drug delivery, gas separation, catalysis, and sensing applications. There is enormous potential for effective integration and research of MONs in diverse applications. Molecular descriptors are arithmetic measures that reveal a chemical substance's physical and chemical characteristics in its foundational network in a natural relationship. They demonstrate an important role in theoretical and ecological chemistry, and in the field of medicine. In this research, we calculated various recently discovered molecular descriptors viz. the modified version of second zagreb index, harmonic index, reciprocal randic index, modified version of forgotten topological index, redefined first zagreb topological index, redefined second zagreb topological index and redefined third zagreb topological index for two separate metal–organic networks. The numerical and graphical comparative analysis of these considered molecular descriptors are also performed.
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spelling pubmed-100662022023-04-02 Mathematical analysis and molecular descriptors of two novel metal–organic models with chemical applications Zaman, Shahid Jalani, Mehwish Ullah, Asad Ahmad, Wakeel Saeedi, Ghulamullah Sci Rep Article Metal–Organic Networks (MONs) are made by chemical molecules that contain metal ions and organic ligands. A crystalline porous solid called Metal–Organic Networks (MONs) is made up of a [Formula: see text] metal network of ions held in place by a multidentate ligand. (MONs) can be used for gas storage, purification drug delivery, gas separation, catalysis, and sensing applications. There is enormous potential for effective integration and research of MONs in diverse applications. Molecular descriptors are arithmetic measures that reveal a chemical substance's physical and chemical characteristics in its foundational network in a natural relationship. They demonstrate an important role in theoretical and ecological chemistry, and in the field of medicine. In this research, we calculated various recently discovered molecular descriptors viz. the modified version of second zagreb index, harmonic index, reciprocal randic index, modified version of forgotten topological index, redefined first zagreb topological index, redefined second zagreb topological index and redefined third zagreb topological index for two separate metal–organic networks. The numerical and graphical comparative analysis of these considered molecular descriptors are also performed. Nature Publishing Group UK 2023-03-31 /pmc/articles/PMC10066202/ /pubmed/37002273 http://dx.doi.org/10.1038/s41598-023-32347-4 Text en © The Author(s) 2023 https://creativecommons.org/licenses/by/4.0/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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Zaman, Shahid
Jalani, Mehwish
Ullah, Asad
Ahmad, Wakeel
Saeedi, Ghulamullah
Mathematical analysis and molecular descriptors of two novel metal–organic models with chemical applications
title Mathematical analysis and molecular descriptors of two novel metal–organic models with chemical applications
title_full Mathematical analysis and molecular descriptors of two novel metal–organic models with chemical applications
title_fullStr Mathematical analysis and molecular descriptors of two novel metal–organic models with chemical applications
title_full_unstemmed Mathematical analysis and molecular descriptors of two novel metal–organic models with chemical applications
title_short Mathematical analysis and molecular descriptors of two novel metal–organic models with chemical applications
title_sort mathematical analysis and molecular descriptors of two novel metal–organic models with chemical applications
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10066202/
https://www.ncbi.nlm.nih.gov/pubmed/37002273
http://dx.doi.org/10.1038/s41598-023-32347-4
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