Solvent-Aware Interfaces in Continuum Solvation.

Andreussi, Oliviero; Hörmann, Nicolas Georg; Nattino, Francesco; Fisicaro, Giuseppe; Goedecker, Stefan; Marzari, Nicola

Andreussi, Oliviero; Hörmann, Nicolas Georg; Nattino, Francesco; Fisicaro, Giuseppe; Goedecker, Stefan; Marzari, Nicola.

Afiliación

Andreussi O; Department of Physics , University of North Texas , Denton , Texas 76207 , United States.
Hörmann NG; Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL) , École Polytechnique Fédérale de Lausanne , Station 9 , CH-1015 Lausanne , Switzerland.
Nattino F; Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL) , École Polytechnique Fédérale de Lausanne , Station 9 , CH-1015 Lausanne , Switzerland.
Fisicaro G; Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL) , École Polytechnique Fédérale de Lausanne , Station 9 , CH-1015 Lausanne , Switzerland.
Goedecker S; Department of Physics , University of Basel , Klingelbergstrasse 82 , CH-4056 Basel , Switzerland.
Marzari N; Istituto per la Microelettronica e Microsistemi (CNR-IMM) , VIII Strada 5 , 95121 Catania , Italy.

J Chem Theory Comput ; 15(3): 1996-2009, 2019 Mar 12.

Article en En | MEDLINE | ID: mdl-30682250

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2019 Tipo del documento: Article País de afiliación: Estados Unidos

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