Diabatization based on the dipole and quadrupole: the DQ method.

Hoyer, Chad E; Xu, Xuefei; Ma, Dongxia; Gagliardi, Laura; Truhlar, Donald G

Hoyer, Chad E; Xu, Xuefei; Ma, Dongxia; Gagliardi, Laura; Truhlar, Donald G.

Afiliação

Hoyer CE; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431, USA.
Xu X; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431, USA.
Ma D; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431, USA.
Gagliardi L; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431, USA.
Truhlar DG; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431, USA.

J Chem Phys ; 141(11): 114104, 2014 Sep 21.

Article em En | MEDLINE | ID: mdl-25240342

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2014 Tipo de documento: Article País de afiliação: Estados Unidos

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