Bonding analysis of hydrogenated lithium clusters using the electron localization function
Author
dc.contributor.author
Fuentealba Rosas, Patricio
Author
dc.contributor.author
Savin, A.
Admission date
dc.date.accessioned
2018-12-20T14:06:47Z
Available date
dc.date.available
2018-12-20T14:06:47Z
Publication date
dc.date.issued
2001
Cita de ítem
dc.identifier.citation
Journal of Physical Chemistry A, Volumen 105, Issue 51, 2018, Pages 11531-11533
Identifier
dc.identifier.issn
10895639
Identifier
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10.1021/jp012004b
Identifier
dc.identifier.uri
https://repositorio.uchile.cl/handle/2250/153995
Abstract
dc.description.abstract
The electron localization function (ELF) has been used to study the bonding characteristics of the hydrogenated lithium clusters. The analysis of the ELF clearly confirmed the hypothesis that each hydrogen atom added to the lithium cluster completely localizes one of the metallic valence electron of the cluster. Hence, the mixed clusters have a metallic part attached to a localized ionic subunit.