Communication: Ro-vibrational control of chemical reactivity in H+CH 4→ H2+CH3: Full-dimensional quantum dynamics calculations and a sudden model

Journal of Chemical Physics

Volumn 141, Issue 5, 2014, Pages

  Welsch, Ralph ^a   Manthe, Uwe ^a  

^a BIELEFELD UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

METHANE; QUANTUM CHEMISTRY; QUANTUM THEORY;

AB INITIO POTENTIAL ENERGY SURFACE; MODEL-BASED OPC; QUANTUM DYNAMICS CALCULATIONS; QUANTUM DYNAMICS SIMULATION; QUANTUM TRANSITIONS; REACTION PROBABILITY; TRANSITION-STATE BASED APPROACH; WAVE PACKET PROPAGATION;

CALCULATIONS;

EID: 84906057163     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4891917     Document Type: Article

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