The reactions CHnD4-n+OH→P and CH4+OD→H3+HOD as a test of current direct dynamics computational methods to determine variational transition-state rate constants. I

Journal of Chemical Physics

Volumn 114, Issue 5, 2001, Pages 2154-2165

  Masgrau, Laura ^a   González Lafont, Àngels ^a   Lluch, José M ^a  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; METHANE; MOLECULAR DYNAMICS; RATE CONSTANTS; THERMAL EFFECTS;

TRANSITION STATE-RATE CONSTANTS;

ELECTRON TRANSITIONS;

EID: 0034818323     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1335655     Document Type: Article

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