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Ab Initio Molecular Dynamics Simulations of an Excess Proton in a Triethylene Glycol-Water Solution: Solvation Structure, Mechanism, and Kinetics.
McDonnell, Marshall T; Xu, Haixuan; Keffer, David J.
Afiliação
  • McDonnell MT; Department of Chemical and Biomolecular Engineering, and ‡Department of Materials Science and Engineering, University of Tennessee , Knoxville, Tennessee 37996, United States.
  • Xu H; Department of Chemical and Biomolecular Engineering, and ‡Department of Materials Science and Engineering, University of Tennessee , Knoxville, Tennessee 37996, United States.
  • Keffer DJ; Department of Chemical and Biomolecular Engineering, and ‡Department of Materials Science and Engineering, University of Tennessee , Knoxville, Tennessee 37996, United States.
J Phys Chem B ; 120(23): 5223-42, 2016 06 16.
Article em En | MEDLINE | ID: mdl-27218455
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article