Kinetics of H-abstraction from isopentanol and subsequent β-dissociation and isomerization
Huanhuan Wang, Lili Xing, Cheng Xie, Bingzhi Liu, Hong Wang, Zhandong Wang
Topics & Concepts
RadicalIsomerizationChemistryDissociation (chemistry)Basis setBond-dissociation energyTransition state theoryReaction mechanismComputational chemistryHydrogen atom abstractionChemical kineticsReaction rate constantPhotochemistryDensity functional theoryKineticsPhysical chemistryCatalysisOrganic chemistryPhysicsQuantum mechanicsCatalysis and Oxidation ReactionsCatalytic Processes in Materials ScienceAtmospheric chemistry and aerosols