Detailed study of the direct numerical observation of the Kramers turnover in the LiNC⇌LiCN isomerization rate

Journal of Chemical Physics

Volumn 137, Issue 20, 2012, Pages

  Müller, P L García ^a   Hernandez, Rigoberto ^b   Benito, R M ^c   Borondo, F ^d  

^a CIEMAT   (Spain)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^c UNIVERSIDAD POLITÉCNICA DE MADRID   (Spain)

^d UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATED DYNAMICS; DIRECT MOLECULAR DYNAMICS; ISOMERIZATION REACTION; LANGEVIN DYNAMICS; LIQUID DENSITY; LOW FRICTION; MOLECULAR PROCESS;

FRICTION; ISOMERS; MOLECULAR DYNAMICS;

ISOMERIZATION;

EID: 84870488397     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4766257     Document Type: Article

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