<i>Ab initio</i> chemical kinetics of Isopropyl acetate oxidation with OH radicals
<p dir="ltr">Global reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, a...
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2023
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