Assessing the Accuracy of Density Functional and Semiempirical Wave Function Methods for Water Nanoparticles: Comparing Binding and Relative Energies of (H2O)16 and (H2O)17 to CCSD(T) Results.

Leverentz, Hannah R; Qi, Helena W; Truhlar, Donald G

Leverentz, Hannah R; Qi, Helena W; Truhlar, Donald G.

Afiliação

Leverentz HR; Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.
Qi HW; Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.
Truhlar DG; Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.

J Chem Theory Comput ; 9(2): 995-1006, 2013 Feb 12.

Article em En | MEDLINE | ID: mdl-26588742

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2013 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Estados Unidos

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