Artículos de revistas
Bonding analysis of hydrogenated lithium clusters using the electron localization function
Fecha
2001Registro en:
Journal of Physical Chemistry A, Volumen 105, Issue 51, 2018, Pages 11531-11533
10895639
10.1021/jp012004b
Autor
Fuentealba Rosas, Patricio
Savin, A.
Institución
Resumen
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.