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Alkali Metal Cation Affinities of Neutral Maingroup-Element Hydrides across the Periodic Table

[Image: see text] We have carried out an extensive quantum chemical exploration of gas-phase alkali metal cation affinities (AMCAs) of archetypal neutral bases across the periodic system using relativistic density functional theory. One objective of this work is to provide an intrinsically consisten...

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Detalles Bibliográficos
Autores principales:	Boughlala, Zakaria, Fonseca Guerra, Célia, Bickelhaupt, F. Matthias
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2019
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6816011/ https://www.ncbi.nlm.nih.gov/pubmed/31294982 http://dx.doi.org/10.1021/acs.jpca.9b03814

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