DCl-H2O, HCl-D2O, and DCl-D2O Dimers: Inter- and Intramolecular Vibrational States and Frequency Shifts from Fully Coupled Quantum Calculations on a Full-Dimensional Neural Network Potential Energy Surface.

Felker, Peter M; Liu, Yang; Li, Jun; Bacic, Zlatko

DCl-H₂O, HCl-D₂O, and DCl-D₂O Dimers: Inter- and Intramolecular Vibrational States and Frequency Shifts from Fully Coupled Quantum Calculations on a Full-Dimensional Neural Network Potential Energy Surface.

Felker, Peter M; Liu, Yang; Li, Jun; Bacic, Zlatko.

Afiliação

Felker PM; Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095-1569, United States.
Liu Y; School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 401331, China.
Li J; School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 401331, China.
Bacic Z; Department of Chemistry, New York University, New York, New York 10003, United States.

J Phys Chem A ; 125(29): 6437-6449, 2021 Jul 29.

Article em En | MEDLINE | ID: mdl-34261318

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article