On the variations of electronic chemical potential and chemical hardness induced by solvent effects

Author	dc.contributor.author	Meneses, L.
Author	dc.contributor.author	Fuentealba Rosas, Patricio	es_CL
Author	dc.contributor.author	Contreras Ramos, Renato	es_CL
Admission date	dc.date.accessioned	2009-05-12T17:48:51Z
Available date	dc.date.available	2009-05-12T17:48:51Z
Publication date	dc.date.issued	2006-12-29
Cita de ítem	dc.identifier.citation	CHEMICAL PHYSICS LETTERS Volume: 433 Issue: 1-3 Pages: 54-57 Published: DEC 29 2006	en
Identifier	dc.identifier.issn	0009-2614
Identifier	dc.identifier.uri	https://repositorio.uchile.cl/handle/2250/118826
Abstract	dc.description.abstract	The effects that a polarizable medium exerts on the electronic chemical potential and the chemical hardness of neutral and charged molecules are discussed in detail, using the continuum approach based on the polarizable charge model. The variations in electronic chemical potential result from charge transfer between the solute and the solvent, a result which is confirmed by supermolecule calculations. Both models predict that chemical hardness diminishes in solution phase due to the decrease in electrostatic potential that result from the increase of the effective radii of neutral and charged solutes.	en
Lenguage	dc.language.iso	en	en
Publisher	dc.publisher	ELSEVIER	en
Keywords	dc.subject	DENSITY-FUNCTIONAL THEORY	en
Título	dc.title	On the variations of electronic chemical potential and chemical hardness induced by solvent effects	en
Document type	dc.type	Artículo de revista