Haoyuan Lang

May 8, 2024 | pubs.rsc.org | Jintao Chen |Yueying Liang |Xingcai Lu |Haoyuan Lang

Theoretical Study on the H-atom Abstraction Reactions of Pentanol + HȮ2, Part Ⅰ：Five Branched Pentanol Isomers The chemical kinetic studies of hydrogen atom (H-atom) abstraction reactions by hydroperoxyl (HȮ2) radicals from five branched pentanol isomers, including 3-methyl-1-butanol, 2-methyl-1-butanol, 1,1-dimethyl-1-propanol, 1,2-dimethyl-1-propanol, and 2,2-dimethyl-1-propanol were investigated systematically through high-level ab initio calculations.