Preferential solvation of Ca2+ in aqueous solutions containing ammonia: A molecular dynamics study

Floris, F. M.; Martínez Fernández, José Manuel; Tomasi, J.

doi:10.1063/1.1453957

Artículo

dc.creator	Floris, F. M.	es
dc.creator	Martínez Fernández, José Manuel	es
dc.creator	Tomasi, J.	es
dc.date.accessioned	2022-07-21T15:28:07Z
dc.date.available	2022-07-21T15:28:07Z
dc.date.issued	2002
dc.identifier.citation	Floris, F.M., Martínez Fernández, J.M. y Tomasi, J. (2002). Preferential solvation of Ca2+ in aqueous solutions containing ammonia: A molecular dynamics study. Journal of Chemical Physics, 116 (13), 5460-5470.
dc.identifier.issn	0021-9606	es
dc.identifier.issn	1089-7690	es
dc.identifier.uri	https://hdl.handle.net/11441/135700
dc.description.abstract	Molecular dynamics simulations by means of the effective interaction potentials were used to study Ca2+ aqueous solutions containing different proportions of ammonia. Structural tendencies were provided by the use of these potentials in cluster computations that were confirmed by the subsequent simulations. The results showed a preferential solvation for ammonia, even at very low concentration.	es
dc.format	application/pdf	es
dc.format.extent	12 p.	es
dc.language.iso	eng	es
dc.publisher	American Institute of Physics	es
dc.relation.ispartof	Journal of Chemical Physics, 116 (13), 5460-5470.
dc.rights	Attribution-NonCommercial-NoDerivatives 4.0 Internacional	*
dc.rights.uri	http://creativecommons.org/licenses/by-nc-nd/4.0/	*
dc.title	Preferential solvation of Ca2+ in aqueous solutions containing ammonia: A molecular dynamics study	es
dc.type	info:eu-repo/semantics/article	es
dcterms.identifier	https://ror.org/03yxnpp24
dc.type.version	info:eu-repo/semantics/publishedVersion	es
dc.rights.accessRights	info:eu-repo/semantics/openAccess	es
dc.contributor.affiliation	Universidad de Sevilla. Departamento de Química Física	es
dc.relation.publisherversion	https://doi.org/10.1063/1.1453957	es
dc.identifier.doi	10.1063/1.1453957	es
dc.journaltitle	Journal of Chemical Physics	es
dc.publication.volumen	116	es
dc.publication.issue	13	es
dc.publication.initialPage	5460	es
dc.publication.endPage	5470	es

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