Ab initio rate constants from hyperspherical quantum scattering: Application to H+CH4→H2+CH3

Journal of Chemical Physics

Volumn 120, Issue 5, 2004, Pages 2308-2318

  Kerkeni, Boutheïna ^a   Clary, David C ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CHEMICAL REACTIONS; COMPUTATIONAL METHODS; DEGREES OF FREEDOM (MECHANICS); FUNCTIONS; HYDROGEN; INTERPOLATION; METHANE; PHASE TRANSITIONS; QUANTUM THEORY;

POTENTIAL ENERGY SURFACES (PES); QUANTUM SCATTERING; TRANSITION STATE THEORY (TST);

RATE CONSTANTS;

EID: 1442355040     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1635816     Document Type: Article

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