A Free Energy Decomposition Analysis: Insight into Binding Thermodynamics from Absolutely Localized Molecular Orbitals.

Talbot, Justin J; Chakraborty, Romit; Shen, Hengyuan; Head-Gordon, Martin

Talbot, Justin J; Chakraborty, Romit; Shen, Hengyuan; Head-Gordon, Martin.

Afiliação

Talbot JJ; Department of Chemistry, University of California, Berkeley, California 94720, United States.
Chakraborty R; Department of Chemistry, University of California, Berkeley, California 94720, United States.
Shen H; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
Head-Gordon M; Department of Chemistry, University of California, Berkeley, California 94720, United States.

J Phys Chem Lett ; 14(23): 5432-5440, 2023 Jun 15.

Article em En | MEDLINE | ID: mdl-37284732

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem Lett Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos

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