Full-dimensional quantum reaction rate calculations for H + CH4 → H2 + CH3 on a recent potential energy surface

Journal of Physical Chemistry A

Volumn 114, Issue 36, 2010, Pages 9617-9622

  Schiffel, Gerd ^a   Manthe, Uwe ^a   Nyman, Gunnar ^b  

^a BIELEFELD UNIVERSITY   (Germany)

^b UNIVERSITY OF GOTHENBURG   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

FUNCTIONAL FORMS; HARTREE APPROACH; QUANTUM DYNAMICS; QUANTUM REACTION RATES; TEMPERATURE RANGE; THERMAL RATE CONSTANT; TIME-DEPENDENT;

POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SURFACE TESTING;

RATE CONSTANTS;

EID: 77956533044     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp911880u     Document Type: Article

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