A theoretical study of the reaction mechanism and product branching ratios of C2H + C2H4 and related reactions on the C4H5 potential energy surface

Journal of Physical Chemistry A

Volumn 113, Issue 42, 2009, Pages 11112-11128

  Krishtal, Sergey P ^a   Mebel, Alexander M ^a   Kaiser, Ralf I ^b  

^a FLORIDA INTERNATIONAL UNIVERSITY   (United States)

^b UNIVERSITY OF HAWAII   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ATMOSPHERIC ENVIRONMENT; BRANCHING RATIO; CROSSED MOLECULAR BEAMS; DENSITY FUNCTIONALS; ENERGY DEPENDENT; ENTRANCE BARRIER; GLOBAL POTENTIAL ENERGY SURFACES; H MIGRATION; HIGH TEMPERATURE AND PRESSURE; LOW TEMPERATURE CONDITIONS; PRODUCT BRANCHING RATIOS; REACTION MECHANISM; REACTION STEPS; RRKM CALCULATIONS; SINGLE-COLLISION; STATIONARY POINTS; THEORETICAL RESULT; THEORETICAL STUDY; TITAN'S ATMOSPHERE; TRANSITION STATE; TWO-STEP MECHANISMS;

ISOMERS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RATE CONSTANTS; VEHICULAR TUNNELS;

POTENTIAL ENERGY;

EID: 70350343754     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp904033a     Document Type: Article

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