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Ab initio molecular dynamics of aqueous 2+ and 3+ cations: a model of the 2nd hydration shell

par Bogatko, Stuart ;Cauet, Emilie ;Bylaska, E.J.;Weare, J.H.
Référence (19-23 September 2010: Gdansk, Poland), Proceedings of the 15th international conference on heavy metals in the environment, page (201-204)
Publication Publié, 2010-09

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Titre:	Ab initio molecular dynamics of aqueous 2+ and 3+ cations: a model of the 2nd hydration shell
Auteur:	Bogatko, Stuart; Cauet, Emilie; Bylaska, E.J.; Weare, J.H.
Informations sur la publication:	(19-23 September 2010: Gdansk, Poland), Proceedings of the 15th international conference on heavy metals in the environment, page (201-204)
Statut de publication:	Publié, 2010-09
Sujet CREF:	Chimie quantique
Langue:	Anglais