Browsing Research Output by Author "36601dfa-8ad4-4761-8f20-bc97382241dc"
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Reaction of a fluorine atom with methanol: potential energy surface considerations
Feng, Hao; Randall, Katherine R.; Schaefer, Henry F. (American Chemical Society, 2015)There are several experimental studies of the F + CH3OH reaction but very little in the way of reliable theory. Here reported are aug-cc-pVQZ CCSD(T) computations for two different reaction pathways. The more exothermic ...