Clarifying the quantum mechanical origin of the covalent chemical bond

The origin of the covalent H–H bond is understood to be driven by kinetic energy lowering. Here the authors show this is not the case for bonds between heavier elements likely due to the presence of core electrons, and that constructive quantum interference instead drives bond formation.

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Auteurs principaux:	Daniel S. Levine, Martin Head-Gordon
Format:	article
Langue:	EN
Publié:	Nature Portfolio 2020
Sujets:	Science Q
Accès en ligne:	https://doaj.org/article/0c7e1da202954e8db251d2a1db8864a5
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id	oai:doaj.org-article:0c7e1da202954e8db251d2a1db8864a5
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spelling	oai:doaj.org-article:0c7e1da202954e8db251d2a1db8864a52021-12-02T19:16:47ZClarifying the quantum mechanical origin of the covalent chemical bond10.1038/s41467-020-18670-82041-1723https://doaj.org/article/0c7e1da202954e8db251d2a1db8864a52020-09-01T00:00:00Zhttps://doi.org/10.1038/s41467-020-18670-8https://doaj.org/toc/2041-1723The origin of the covalent H–H bond is understood to be driven by kinetic energy lowering. Here the authors show this is not the case for bonds between heavier elements likely due to the presence of core electrons, and that constructive quantum interference instead drives bond formation.Daniel S. LevineMartin Head-GordonNature PortfolioarticleScienceQENNature Communications, Vol 11, Iss 1, Pp 1-8 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Daniel S. Levine Martin Head-Gordon Clarifying the quantum mechanical origin of the covalent chemical bond
description	The origin of the covalent H–H bond is understood to be driven by kinetic energy lowering. Here the authors show this is not the case for bonds between heavier elements likely due to the presence of core electrons, and that constructive quantum interference instead drives bond formation.
format	article
author	Daniel S. Levine Martin Head-Gordon
author_facet	Daniel S. Levine Martin Head-Gordon
author_sort	Daniel S. Levine
title	Clarifying the quantum mechanical origin of the covalent chemical bond
title_short	Clarifying the quantum mechanical origin of the covalent chemical bond
title_full	Clarifying the quantum mechanical origin of the covalent chemical bond
title_fullStr	Clarifying the quantum mechanical origin of the covalent chemical bond
title_full_unstemmed	Clarifying the quantum mechanical origin of the covalent chemical bond
title_sort	clarifying the quantum mechanical origin of the covalent chemical bond
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/0c7e1da202954e8db251d2a1db8864a5
work_keys_str_mv	AT danielslevine clarifyingthequantummechanicaloriginofthecovalentchemicalbond AT martinheadgordon clarifyingthequantummechanicaloriginofthecovalentchemicalbond
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Clarifying the quantum mechanical origin of the covalent chemical bond

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