Thermal decomposition of ethanol. II. A computational study of the kinetics and mechanism for the H+C2H5OH reaction

Journal of Chemical Physics

Volumn 118, Issue 22, 2003, Pages 9990-9996

  Park, J ^a   Xu, Z F ^a   Lin, M C ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMBUSTION; COMPUTER SIMULATION; CURVE FITTING; ELECTRON TUNNELING; HIGH TEMPERATURE EFFECTS; HYDROGEN BONDS; LEAST SQUARES APPROXIMATIONS; MOLECULAR STRUCTURE; OPTIMIZATION; PYROLYSIS; QUANTUM THEORY; RATE CONSTANTS;

HIGH TEMPERATURE DECOMPOSITION; MOLECULAR ORBITAL CALCULATION; QUANTUM CHEMICAL CALCULATION; QUANTUM MECHANICAL TUNNELING CORRECTIONS; UNIMOLECULAR DECOMPOSITION; VARIATIONAL TRANSITION STATE THEORY;

ETHANOL;

EID: 0038609401     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1573182     Document Type: Article

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