Comparing van der Waals DFT methods for water on NaCl(001) and MgO(001).

Kebede, Getachew G; Spångberg, Daniel; Mitev, Pavlin D; Broqvist, Peter; Hermansson, Kersti.

Afiliação

Kebede GG; Department of Chemistry-Ångström, Uppsala University, Box 538, SE-751 21Uppsala, Sweden.
Spångberg D; Department of Chemistry-Ångström, Uppsala University, Box 538, SE-751 21Uppsala, Sweden.
Mitev PD; Department of Chemistry-Ångström, Uppsala University, Box 538, SE-751 21Uppsala, Sweden.
Broqvist P; Department of Chemistry-Ångström, Uppsala University, Box 538, SE-751 21Uppsala, Sweden.
Hermansson K; Department of Chemistry-Ångström, Uppsala University, Box 538, SE-751 21Uppsala, Sweden.

J Chem Phys ; 146(6): 064703, 2017 Feb 14.

Article em En | MEDLINE | ID: mdl-28201901

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2017 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2017 Tipo de documento: Article