Quantum dynamics of the H+ CH4 → H2 + CH3 reaction in curvilinear coordinates: Full-dimensional and reduced dimensional calculations of reaction rates

Journal of Chemical Physics

Volumn 132, Issue 8, 2010, Pages

  Schiffel, Gerd ^a   Manthe, Uwe ^a  

^a BIELEFELD UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BENDING MOTION; CURVILINEAR COORDINATE; CURVILINEAR COORDINATE SYSTEMS; FULL-DIMENSIONAL RESULTS; KINETIC-ENERGY OPERATOR; NORMAL COORDINATE; QUANTUM DYNAMICS; QUANTUM DYNAMICS CALCULATIONS; REACTION PROBABILITY; REDUCED-DIMENSIONAL; STEREOGRAPHIC PROJECTION; THERMAL RATE CONSTANT; TIME-DEPENDENT; TRANSITION STATE;

QUANTUM CHEMISTRY; QUANTUM THEORY; RATE CONSTANTS; SURFACE PHENOMENA;

COORDINATE MEASURING MACHINES;

EID: 77749302356     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3304920     Document Type: Article

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