Browsing School of Chemistry (Scholarly Articles) by Subject "Reaction channels"
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Theoretical and kinetic study of the hydrogen atom abstraction reactions of esters with HO2 radicals
(American Chemical Society, 2013-10-31)This work details an ab initio and chemical kinetic study of the hydrogen atom abstraction reactions by the hydroperoxyl radical (HO2) on the following esters: methyl ethanoate, methyl propanoate, methyl butanoate, methyl ... -
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 ...