Browsing College of Science by Subject "Quadratic configuration interaction"
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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 ...