Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactions

Journal of Chemical Physics

Volumn 140, Issue 6, 2014, Pages

  Menzeleev, Artur R ^a   Bell, Franziska ^a   Miller III, Thomas F ^a  

^a California Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EQUATIONS OF MOTION; MOLECULAR DYNAMICS;

ASYMMETRIC BARRIERS; ELECTRON-TRANSFER REACTIONS; ELECTRONIC COUPLING; NON-ADIABATIC DYNAMICS; NON-ADIABATIC TRANSITIONS; NUCLEAR COORDINATES; THERMODYNAMIC DRIVING FORCES; TIME REVERSAL SYMMETRIES;

REACTION KINETICS;

EID: 84902510557     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4863919     Document Type: Article

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