A surface hopping method for chemical reaction dynamics in solution described by diabatic representation: An analysis of tunneling and thermal activation

Journal of Chemical Physics

Volumn 124, Issue 9, 2006, Pages

  Yamada, Atsushi ^a   Okazaki, Susumu ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TUNNELING; MOLECULAR ORIENTATION; PROTONS; REAL TIME SYSTEMS; SOLVENTS;

MOLECULAR ORBITAL THEORY; PROTON TRANSFER REACTION; SURFACE HOPPING; TUNNELING MECHANISM;

REACTION KINETICS;

EID: 34547926260     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2172595     Document Type: Article

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