Exact-Two-Component Multiconfiguration Pair-Density Functional Theory.

Sharma, Prachi; Jenkins, Andrew J; Scalmani, Giovanni; Frisch, Michael J; Truhlar, Donald G; Gagliardi, Laura; Li, Xiaosong

Sharma, Prachi; Jenkins, Andrew J; Scalmani, Giovanni; Frisch, Michael J; Truhlar, Donald G; Gagliardi, Laura; Li, Xiaosong.

Afiliación

Sharma P; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.
Jenkins AJ; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.
Scalmani G; Gaussian Inc., 340 Quinnipiac Street, Building 40, Wallingford, Connecticut 06492, United States.
Frisch MJ; Gaussian Inc., 340 Quinnipiac Street, Building 40, Wallingford, Connecticut 06492, United States.
Truhlar DG; Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455, United States.
Gagliardi L; Department of Chemistry, University of Chicago, 5735 S Ellis Avenue, Chicago, Illinois 60637, United States.
Li X; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.

J Chem Theory Comput ; 18(5): 2947-2954, 2022 May 10.

Article en En | MEDLINE | ID: mdl-35384665

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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