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Structure and dynamics of the hydration shells of Al3+, Fe3+, Zn2+ and UO22+ from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations

par Bylaska, E.J.;Bogatko, Stuart ;Cauet, Emilie ;Nichols, P.J;Weare, J.H.;de Jong, W.A
Référence 238th American Chemical Society National Meeting (2009: Washington DC, USA)
Publication Non publié, 2009

Communication à un colloque

• Détails

Titre:	Structure and dynamics of the hydration shells of Al3+, Fe3+, Zn2+ and UO22+ from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations
Auteur:	Bylaska, E.J.; Bogatko, Stuart; Cauet, Emilie; Nichols, P.J; Weare, J.H.; de Jong, W.A
Informations sur la publication:	238th American Chemical Society National Meeting (2009: Washington DC, USA)
Statut de publication:	Non publié, 2009
Sujet CREF:	Chimie
Langue:	Anglais