Yueying Liang

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.

Apr 30, 2024 | pubs.rsc.org | Yueying Liang |Yuxiang Zhu |Jintao Chen |Xingcai Lu

Theoretical investigation on isomerization and decomposition reactions of pentanol radicals–Part II: Linear pentanol isomers. High-level ab initio calculations are conducted for the kinetics of three linear pentanol radicals generated through the H-atom abstraction reactions.

Feb 26, 2024 | dx.doi.org | Yueying Liang |Xingcai Lu

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Mar 16, 2023 | pubs.rsc.org | Yuxiang Zhu |Jintao Chen |Xingcai Lu |Yueying Liang

Theoretical investigation on isomerization and decomposition reactions of pentanol radicals–part I: Branched pentanol isomers Yueying Liang,   Yuxiang Zhu,   Jintao Chen,   Xingcai Lu  and  Chong-Wen Zhou   Abstract Theoretical investigations on the kinetics of decomposition and isomerization reactions for five types of branched pentanol radicals were carried out in this work.