Mode selectivity for a "central" barrier reaction: Eight-dimensional quantum studies of the O(3P) + CH4 → OH + CH3 reaction on an ab initio potential energy surface

Journal of Physical Chemistry Letters

Volumn 3, Issue 24, 2012, Pages 3776-3780

  Liu, Rui ^a   Yang, Minghui ^a   Czakó, Gábor ^b   Bowman, Joel M ^c   Li, Jun ^d   Guo, Hua ^d  

^a Wuhan National Laboratory for Optoelectronics   (China)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^c EMORY UNIVERSITY   (United States)

^d UNIVERSITY OF NEW MEXICO   (United States)

Author keywords

Kinetics and Dynamics

Indexed keywords

AB INITIO POTENTIAL ENERGY SURFACE; COMBUSTION REACTIONS; EXCITATION FUNCTION; GROUND VIBRATIONAL STATE; MODE SELECTIVITY; QUANTUM MODELS; QUANTUM STUDY; QUASICLASSICAL TRAJECTORIES; STRETCHING MODES; TRANSLATIONAL ENERGY; VIBRATIONAL EXCITATION; VIBRATIONAL MODES;

DYNAMICS; QUANTUM CHEMISTRY;

EXCITED STATES;

EID: 84871577568     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz301735m     Document Type: Article

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