On the breakdown of the Ehrenfest method for molecular dynamics on surfaces.

Loaiza, Ignacio; Izmaylov, Artur F

Loaiza, Ignacio; Izmaylov, Artur F.

Afiliación

Loaiza I; Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada and Department of Physical and Environmental Sciences, University of Toronto Scarborough, Toronto, Ontario M1C 1A4, Canada.
Izmaylov AF; Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada and Department of Physical and Environmental Sciences, University of Toronto Scarborough, Toronto, Ontario M1C 1A4, Canada.

J Chem Phys ; 149(21): 214101, 2018 Dec 07.

Article en En | MEDLINE | ID: mdl-30525721

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2018 Tipo del documento: Article País de afiliación: Canadá Pais de publicación: Estados Unidos

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