Your browser doesn't support javascript.
loading
Predictions of the properties of water from first principles.
Bukowski, Robert; Szalewicz, Krzysztof; Groenenboom, Gerrit C; van der Avoird, Ad.
Afiliação
  • Bukowski R; Department of Physics and Astronomy, University of Delaware, Newark, DE 19716, USA.
Science ; 315(5816): 1249-52, 2007 Mar 02.
Article em En | MEDLINE | ID: mdl-17332406
A force field for water has been developed entirely from first principles, without any fitting to experimental data. It contains both pairwise and many-body interactions. This force field predicts the properties of the water dimer and of liquid water in excellent agreement with experiments, a previously elusive objective. Precise knowledge of the intermolecular interactions in water will facilitate a better understanding of this ubiquitous substance.
Buscar no Google
Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2007 Tipo de documento: Article
Buscar no Google
Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2007 Tipo de documento: Article