Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) as a Simple yet Accurate Method for Diradicals and Diradicaloids.

Horbatenko, Yevhen; Sadiq, Saima; Lee, Seunghoon; Filatov, Michael; Choi, Cheol Ho

Horbatenko, Yevhen; Sadiq, Saima; Lee, Seunghoon; Filatov, Michael; Choi, Cheol Ho.

Afiliación

Horbatenko Y; Department of Chemistry, Kyungpook National University, Daegu 702-701, South Korea.
Sadiq S; Department of Chemistry, Kyungpook National University, Daegu 702-701, South Korea.
Lee S; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States.
Filatov M; Department of Chemistry, Kyungpook National University, Daegu 702-701, South Korea.
Choi CH; Department of Chemistry, Kyungpook National University, Daegu 702-701, South Korea.

J Chem Theory Comput ; 17(2): 848-859, 2021 Feb 09.

Article en En | MEDLINE | ID: mdl-33401894

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

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