Reactions of β-hydroxypropyl radicals with O2 on the HOC3H6OO• potential energy surfaces: A theoretical study

Although addition reactions of β-hydroxypropyl radicals with O2 are important steps in the reaction pathways of propylene oxidation at low temperature, there is a lack of available accurate rate constants for these reactions in the literature. To obtain complete reaction channels and relatively accurate rate constants over a wide range of temperatures and pressures, a systematic method, which combines the high level ab initio calculation, the...