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Grand canonical simulations of electrochemical interfaces in implicit solvation models.
Hörmann, Nicolas G; Andreussi, Oliviero; Marzari, Nicola.
  • Hörmann NG; Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.
  • Andreussi O; Department of Physics, University of North Texas, Denton, Texas 76207, USA.
  • Marzari N; Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.
J Chem Phys ; 150(4): 041730, 2019 Jan 28.
Article en En | MEDLINE | ID: mdl-30709280
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Texto completo: 1 Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies / Qualitative_research Idioma: En Año: 2019 Tipo del documento: Article
Texto completo
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XML
PubMed Links
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Texto completo: 1 Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies / Qualitative_research Idioma: En Año: 2019 Tipo del documento: Article