Browsing by Subject "n-Butanol"
Now showing items 1-2 of 2
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Theoretical chemical kinetic study of the h-atom abstraction reactions from aldehydes and acids by Ḣ Atoms and ȮH, HȮ2, and ĊH3 radicals
(American Chemical Society, 2014-11-11)We have performed a systematic, theoretical chemical kinetic investigation of H atom abstraction by H atoms and OH, HO2, and CH3 radicals from aldehydes (methanal, ethanal, propanal, and isobutanal) and acids (methanoic ... -
Theoretical study of the rate constants for the hydrogen atom abstraction reactions of esters with •OH radicals
(American Chemical Society, 2014-05-30)A systematic investigation of the rate constants for hydrogen atom abstraction reactions by hydroxyl radicals on esters has been performed. The geometry optimizations and frequency calculations were obtained using the ...