Tracking Hydronium/Water Stretches in Magic H3O+(H2O)20 Clusters through High-level Quantum VSCF/VCI Calculations.

Tracking Hydronium/Water Stretches in Magic H₃O⁺(H₂O)₂₀ Clusters through High-level Quantum VSCF/VCI Calculations.

Yu, Qi; Bowman, Joel M.

Afiliação

Yu Q; Cherry L. Emerson Center for Scientific Computation and Department of Chemistry , Emory University , Atlanta , Georgia 30322 , United States.
Bowman JM; Cherry L. Emerson Center for Scientific Computation and Department of Chemistry , Emory University , Atlanta , Georgia 30322 , United States.

J Phys Chem A ; 124(6): 1167-1175, 2020 Feb 13.

Article em En | MEDLINE | ID: mdl-31967827

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article