Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded Interactions.

Thanthiriwatte, Kanchana S; Hohenstein, Edward G; Burns, Lori A; Sherrill, C David

Thanthiriwatte, Kanchana S; Hohenstein, Edward G; Burns, Lori A; Sherrill, C David.

Afiliação

Thanthiriwatte KS; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States.
Hohenstein EG; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States.
Burns LA; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States.
Sherrill CD; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States.

J Chem Theory Comput ; 7(1): 88-96, 2011 Jan 11.

Article em En | MEDLINE | ID: mdl-26606221

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Texto completo: 1 Temas: ECOS / Aspectos_gerais Bases de dados: MEDLINE Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2011 Tipo de documento: Article País de afiliação: Estados Unidos

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