Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions.

Duignan, Timothy T; Baer, Marcel D; Schenter, Gregory K; Mundy, Chistopher J

Duignan, Timothy T; Baer, Marcel D; Schenter, Gregory K; Mundy, Chistopher J.

Afiliação

Duignan TT; Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA.
Baer MD; Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA.
Schenter GK; Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA.
Mundy CJ; Department of Chemical Engineering, University of Washington, Seattle, Washington 98185, USA.

J Chem Phys ; 147(16): 161716, 2017 Oct 28.

Article em En | MEDLINE | ID: mdl-29096478

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2017 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2017 Tipo de documento: Article