Theoretical kinetics of hydrogen abstraction reactions from propanol isomers by hydroperoxyl radical: Implication for combustion modeling
Yaozong Duan, Zhen Huang, Dong Han
Topics & Concepts
HydroperoxylChemistryReaction rate constantHydrogen atom abstractionBranching (polymer chemistry)CombustionComputational chemistryPhysical chemistryThermodynamicsElementary reactionChemical kineticsTransition state theoryHydrogenReaction rateKineticsRadicalOrganic chemistryCatalysisPhysicsQuantum mechanicsAdvanced Chemical Physics StudiesCatalytic Processes in Materials ScienceAtmospheric chemistry and aerosols