Periodicity of molecular clusters based on symmetry-adapted orbital model

Prediction of stable clusters based on the jellium model is limited because of the usual assumption of their spherical symmetry. Here the authors propose a symmetry adapted orbital model by quantum chemistry calculations for the prediction of stable clusters with various shapes that obey a certain p...

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Autores principales:	Takamasa Tsukamoto, Naoki Haruta, Tetsuya Kambe, Akiyoshi Kuzume, Kimihisa Yamamoto
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2019
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/e2cce2141eb3484dbe62366d1a09be9c
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spelling	oai:doaj.org-article:e2cce2141eb3484dbe62366d1a09be9c2021-12-02T15:35:51ZPeriodicity of molecular clusters based on symmetry-adapted orbital model10.1038/s41467-019-11649-02041-1723https://doaj.org/article/e2cce2141eb3484dbe62366d1a09be9c2019-08-01T00:00:00Zhttps://doi.org/10.1038/s41467-019-11649-0https://doaj.org/toc/2041-1723Prediction of stable clusters based on the jellium model is limited because of the usual assumption of their spherical symmetry. Here the authors propose a symmetry adapted orbital model by quantum chemistry calculations for the prediction of stable clusters with various shapes that obey a certain periodicity.Takamasa TsukamotoNaoki HarutaTetsuya KambeAkiyoshi KuzumeKimihisa YamamotoNature PortfolioarticleScienceQENNature Communications, Vol 10, Iss 1, Pp 1-8 (2019)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Takamasa Tsukamoto Naoki Haruta Tetsuya Kambe Akiyoshi Kuzume Kimihisa Yamamoto Periodicity of molecular clusters based on symmetry-adapted orbital model
description	Prediction of stable clusters based on the jellium model is limited because of the usual assumption of their spherical symmetry. Here the authors propose a symmetry adapted orbital model by quantum chemistry calculations for the prediction of stable clusters with various shapes that obey a certain periodicity.
format	article
author	Takamasa Tsukamoto Naoki Haruta Tetsuya Kambe Akiyoshi Kuzume Kimihisa Yamamoto
author_facet	Takamasa Tsukamoto Naoki Haruta Tetsuya Kambe Akiyoshi Kuzume Kimihisa Yamamoto
author_sort	Takamasa Tsukamoto
title	Periodicity of molecular clusters based on symmetry-adapted orbital model
title_short	Periodicity of molecular clusters based on symmetry-adapted orbital model
title_full	Periodicity of molecular clusters based on symmetry-adapted orbital model
title_fullStr	Periodicity of molecular clusters based on symmetry-adapted orbital model
title_full_unstemmed	Periodicity of molecular clusters based on symmetry-adapted orbital model
title_sort	periodicity of molecular clusters based on symmetry-adapted orbital model
publisher	Nature Portfolio
publishDate	2019
url	https://doaj.org/article/e2cce2141eb3484dbe62366d1a09be9c
work_keys_str_mv	AT takamasatsukamoto periodicityofmolecularclustersbasedonsymmetryadaptedorbitalmodel AT naokiharuta periodicityofmolecularclustersbasedonsymmetryadaptedorbitalmodel AT tetsuyakambe periodicityofmolecularclustersbasedonsymmetryadaptedorbitalmodel AT akiyoshikuzume periodicityofmolecularclustersbasedonsymmetryadaptedorbitalmodel AT kimihisayamamoto periodicityofmolecularclustersbasedonsymmetryadaptedorbitalmodel
_version_	1718386446317912064

Periodicity of molecular clusters based on symmetry-adapted orbital model

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