Resolving the mystery of prompt CO2: The HCCO + O2 reaction

Proceedings of the Combustion Institute

Volumn 29, Issue 1, 2002, Pages 1209-1217

  Klippenstein, Stephen J ^a   Miller, James A ^a   Harding, Lawrence B ^b  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; NUMERICAL METHODS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; QUANTUM THEORY; REACTION KINETICS; SURFACE REACTIONS;

CONVENTIONAL TRANSITION STATE THEORIES; COUPLED-CLUSTER THEORY; INCREASING TEMPERATURES; MOLECULAR PROPERTIES; PRODUCT STATE DISTRIBUTIONS; TRAJECTORY SIMULATION; VARIATIONAL TRANSITION STATE THEORY; VARIATIONAL TREATMENT;

RATE CONSTANTS;

EID: 0037899086     PISSN: 15407489     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1540-7489(02)80150-X     Document Type: Article

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