Investigations of Thermochemistry and the Kinetics of H Atom Radical Reactions
Description:
The thermochemistry of several species, and the kinetics of various H atom radical reactions relevant to atmospheric and combustion chemistry were investigated using ab initio theoretical techniques and the flash photolysis / resonance fluorescence technique. Using ab initio quantum mechanical calculations up to the G3 level of theory, the C-H bond strengths of several alkanes were calculated. The bond strengths were calculated using two working reactions. From the results, it is apparent that …
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Date:
December 2002
Creator:
Peebles, Lynda Renee
Partner:
UNT Libraries