Ab Initio Studies of Hydrated Electron/Cation Contact Pairs: Hydrated Electrons Simulated with Density Functional Theory Are Too Kosmotropic.

Park, Sanghyun J; Narvaez, Wilberth A; Schwartz, Benjamin J

Park, Sanghyun J; Narvaez, Wilberth A; Schwartz, Benjamin J.

Afiliação

Park SJ; Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095-1569, United States.
Narvaez WA; Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095-1569, United States.
Schwartz BJ; Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095-1569, United States.

J Phys Chem Lett ; 14(2): 559-566, 2023 Jan 19.

Article em En | MEDLINE | ID: mdl-36630724

Assuntos

Elétrons; Água; Teoria da Densidade Funcional; Cátions; Água/química

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Água / Elétrons Idioma: En Revista: J Phys Chem Lett Ano de publicação: 2023 Tipo de documento: Article

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