H<sub>2</sub>, HD, and D<sub>2</sub> in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates.

Lauvergnat, David; Felker, Peter; Scribano, Yohann; Benoit, David M; Bacic, Zlatko

H₂, HD, and D₂ in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates.

Lauvergnat, David; Felker, Peter; Scribano, Yohann; Benoit, David M; Bacic, Zlatko.

Afiliação

Lauvergnat D; Laboratoire de Chimie Physique, UMR-CNRS 8000, Université de Paris-Sud, Orsay F-91405, France.
Felker P; Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095-1569, USA.
Scribano Y; Laboratoire Univers et Particules de Montpellier, Université de Montpellier, UMR-CNRS 5299, 34095 Montpellier Cedex, France.
Benoit DM; Department of Physics and Mathematics, E.A. Milne Centre for Astrophysics and G. W. Gray Centre for Advanced Materials, The University of Hull, Cottingham Road, Kingston upon Hull HU6 7RX, United Kingdom.
Bacic Z; Department of Chemistry, New York University, New York, New York 10003, USA.

J Chem Phys ; 150(15): 154303, 2019 Apr 21.

Article em En | MEDLINE | ID: mdl-31005099

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article