Ab initio molecular dynamics with enhanced sampling for surface reaction kinetics at finite temperatures: CH2â CH + H on Ni(111) as a case study.

Sun, Geng; Jiang, Hong

Ab initio molecular dynamics with enhanced sampling for surface reaction kinetics at finite temperatures: CH2â CH + H on Ni(111) as a case study.

Sun, Geng; Jiang, Hong.

Afiliação

Sun G; Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Rare Earth Materials Chemistry and Application, College of Chemistry and Molecular Engineering, Peking University, 100871 Beijing, China.
Jiang H; Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Rare Earth Materials Chemistry and Application, College of Chemistry and Molecular Engineering, Peking University, 100871 Beijing, China.

J Chem Phys ; 143(23): 234706, 2015 Dec 21.

Article em En | MEDLINE | ID: mdl-26696069

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2015 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2015 Tipo de documento: Article