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Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT.
Ringe, Stefan; Oberhofer, Harald; Hille, Christoph; Matera, Sebastian; Reuter, Karsten.
Afiliação
  • Ringe S; Chair for Theoretical Chemistry and Catalysis Research Center, Technische Universität München , Lichtenbergstr. 4, D-85747 Garching, Germany.
  • Oberhofer H; Chair for Theoretical Chemistry and Catalysis Research Center, Technische Universität München , Lichtenbergstr. 4, D-85747 Garching, Germany.
  • Hille C; Chair for Theoretical Chemistry and Catalysis Research Center, Technische Universität München , Lichtenbergstr. 4, D-85747 Garching, Germany.
  • Matera S; Fachbereich f. Mathematik u. Informatik, Freie Universität Berlin , Otto-von-Simson-Str. 19, D-14195 Berlin, Germany.
  • Reuter K; Chair for Theoretical Chemistry and Catalysis Research Center, Technische Universität München , Lichtenbergstr. 4, D-85747 Garching, Germany.
J Chem Theory Comput ; 12(8): 4052-66, 2016 Aug 09.
Article em En | MEDLINE | ID: mdl-27323006
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Alemanha
Texto completo
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XML
PubMed Links
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Alemanha