Hydrogen Bond Thermodynamics in Aqueous Acid Solutions: A Combined DFT and Classical Force-Field Approach.

Tran, Bolton; Cai, Yusheng; Janik, Michael J; Milner, Scott T

Tran, Bolton; Cai, Yusheng; Janik, Michael J; Milner, Scott T.

Afiliação

Tran B; Department of Chemical Engineering, Pennsylvania State University, University Park, Pennsylvania16801, United States.
Cai Y; Department of Chemical & Biomolecular Engineering, University of Pennsylvania, Philadelphia, Pennsylvania19104, United States.
Janik MJ; Department of Chemical Engineering, Pennsylvania State University, University Park, Pennsylvania16801, United States.
Milner ST; Department of Chemical Engineering, Pennsylvania State University, University Park, Pennsylvania16801, United States.

J Phys Chem A ; 126(40): 7382-7398, 2022 Oct 13.

Article em En | MEDLINE | ID: mdl-36190836

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Estados Unidos

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