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Author(s):   Xu, Z.F.; Park, J.; Lin, M.C.
Title:   Thermal decomposition of ethanol. III. A computational study of the kinetics and mechanism for the CH3 + C2H5OH reaction
Journal:   J. Chem. Phys.
Volume:   120
Page(s):   6593 - 6599
Year:   2004
Reference type:   Journal article
Squib:   2004XU/PAR6593-6599

Reaction:   C2H5OH + ·CH3C2H5OCH3 +
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Comments:   Minor channel, highly endothermic, modified G2/B3LYP 6-311G(d,p) geometries, rates by TST and CVTST plus tunneling

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