Quantum dynamics of the CH4 + H → CH3 + H2 reaction: Full-dimensional and reduced dimensionality rate constant calculations

Journal of Physical Chemistry A

Volumn 105, Issue 12, 2001, Pages 2522-2529

  Huarte Larrañaga, Fermín ^a   Manthe, Uwe ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

REACTIVE PROCESSES; TRANSITION STATE THEORY;

BENCHMARKING; COMPUTATIONAL METHODS; DEGREES OF FREEDOM (MECHANICS); MOLECULAR VIBRATIONS; POTENTIAL ENERGY; QUANTUM THEORY; RATE CONSTANTS;

COMBUSTION;

EID: 0035967409     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp003579w     Document Type: Article

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