Implementation of Coherent Switching with Decay of Mixing into the SHARC Program.

Shu, Yinan; Zhang, Linyao; Mai, Sebastian; Sun, Shaozeng; González, Leticia; Truhlar, Donald G

Shu, Yinan; Zhang, Linyao; Mai, Sebastian; Sun, Shaozeng; González, Leticia; Truhlar, Donald G.

Afiliação

Shu Y; Department of Chemistry and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.
Zhang L; Department of Chemistry and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.
Mai S; School of Energy Science and Engineering, Harbin Institute of Technology, Harbin 150001, People's Republic of China.
Sun S; Institute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna, Währinger Str. 17, 1090, Vienna, Austria.
González L; School of Energy Science and Engineering, Harbin Institute of Technology, Harbin 150001, People's Republic of China.
Truhlar DG; Institute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna, Währinger Str. 17, 1090, Vienna, Austria.

J Chem Theory Comput ; 16(6): 3464-3475, 2020 Jun 09.

Article em En | MEDLINE | ID: mdl-32250624

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Sysrev_observational_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article

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