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Mathematical Geometry and Groups for Low-Symmetry Metal Complex Systems
Since chemistry, materials science, and crystallography deal with three-dimensional structures, they use mathematics such as geometry and symmetry. In recent years, the application of topology and mathematics to material design has yielded remarkable results. It can also be seen that differential ge...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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MDPI
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10254238/ https://www.ncbi.nlm.nih.gov/pubmed/37298985 http://dx.doi.org/10.3390/molecules28114509 |
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author | Akitsu, Takashiro |
author_facet | Akitsu, Takashiro |
author_sort | Akitsu, Takashiro |
collection | PubMed |
description | Since chemistry, materials science, and crystallography deal with three-dimensional structures, they use mathematics such as geometry and symmetry. In recent years, the application of topology and mathematics to material design has yielded remarkable results. It can also be seen that differential geometry has been applied to various fields of chemistry for a relatively long time. There is also the possibility of using new mathematics, such as the crystal structure database, which represents big data, for computational chemistry (Hirshfeld surface analysis). On the other hand, group theory (space group and point group) is useful for crystal structures, including determining their electronic properties and the symmetries of molecules with relatively high symmetry. However, these strengths are not exhibited in the low-symmetry molecules that are actually handled. A new use of mathematics for chemical research is required that is suitable for the age when computational chemistry and artificial intelligence can be used. |
format | Online Article Text |
id | pubmed-10254238 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-102542382023-06-10 Mathematical Geometry and Groups for Low-Symmetry Metal Complex Systems Akitsu, Takashiro Molecules Opinion Since chemistry, materials science, and crystallography deal with three-dimensional structures, they use mathematics such as geometry and symmetry. In recent years, the application of topology and mathematics to material design has yielded remarkable results. It can also be seen that differential geometry has been applied to various fields of chemistry for a relatively long time. There is also the possibility of using new mathematics, such as the crystal structure database, which represents big data, for computational chemistry (Hirshfeld surface analysis). On the other hand, group theory (space group and point group) is useful for crystal structures, including determining their electronic properties and the symmetries of molecules with relatively high symmetry. However, these strengths are not exhibited in the low-symmetry molecules that are actually handled. A new use of mathematics for chemical research is required that is suitable for the age when computational chemistry and artificial intelligence can be used. MDPI 2023-06-02 /pmc/articles/PMC10254238/ /pubmed/37298985 http://dx.doi.org/10.3390/molecules28114509 Text en © 2023 by the author. 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 | Opinion Akitsu, Takashiro Mathematical Geometry and Groups for Low-Symmetry Metal Complex Systems |
title | Mathematical Geometry and Groups for Low-Symmetry Metal Complex Systems |
title_full | Mathematical Geometry and Groups for Low-Symmetry Metal Complex Systems |
title_fullStr | Mathematical Geometry and Groups for Low-Symmetry Metal Complex Systems |
title_full_unstemmed | Mathematical Geometry and Groups for Low-Symmetry Metal Complex Systems |
title_short | Mathematical Geometry and Groups for Low-Symmetry Metal Complex Systems |
title_sort | mathematical geometry and groups for low-symmetry metal complex systems |
topic | Opinion |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10254238/ https://www.ncbi.nlm.nih.gov/pubmed/37298985 http://dx.doi.org/10.3390/molecules28114509 |
work_keys_str_mv | AT akitsutakashiro mathematicalgeometryandgroupsforlowsymmetrymetalcomplexsystems |