Comparative Study of Single and Double Hybrid Density Functionals for the Prediction of 3d Transition Metal Thermochemistry.

Jiang, Wanyi; Laury, Marie L; Powell, Mitchell; Wilson, Angela K

Jiang, Wanyi; Laury, Marie L; Powell, Mitchell; Wilson, Angela K.

Afiliación

Jiang W; Department of Chemistry and Center for Advanced Scientific Computing and Modeling (CASCaM), University of North Texas, Denton, Texas 76203-5017, United States.
Laury ML; Department of Chemistry and Center for Advanced Scientific Computing and Modeling (CASCaM), University of North Texas, Denton, Texas 76203-5017, United States.
Powell M; Department of Chemistry and Center for Advanced Scientific Computing and Modeling (CASCaM), University of North Texas, Denton, Texas 76203-5017, United States.
Wilson AK; Department of Chemistry and Center for Advanced Scientific Computing and Modeling (CASCaM), University of North Texas, Denton, Texas 76203-5017, United States.

J Chem Theory Comput ; 8(11): 4102-11, 2012 Nov 13.

Article en En | MEDLINE | ID: mdl-26605577

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Chem Theory Comput Año: 2012 Tipo del documento: Article País de afiliación: Estados Unidos

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