Resonant Inelastic X-ray Scattering Calculations of Transition Metal Complexes Within a Simplified Time-Dependent Density Functional Theory Framework.

Nascimento, Daniel R; Biasin, Elisa; Poulter, Benjamin I; Khalil, Munira; Sokaras, Dimosthenis; Govind, Niranjan

Nascimento, Daniel R; Biasin, Elisa; Poulter, Benjamin I; Khalil, Munira; Sokaras, Dimosthenis; Govind, Niranjan.

Afiliación

Nascimento DR; Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Biasin E; Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
Poulter BI; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.
Khalil M; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.
Sokaras D; Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
Govind N; Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.

J Chem Theory Comput ; 17(5): 3031-3038, 2021 May 11.

Article en En | MEDLINE | ID: mdl-33909424

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2021 Tipo del documento: Article País de afiliación: Estados Unidos

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