Oxidation of pentan-2-ol – Part I: Theoretical investigation on the decomposition and isomerization reactions of pentan-2-ol radicals
Junfeng Bai, Yuxiang Zhu, Chong-Wen Zhou, Guillaume Dayma, Zeynep Serinyel, Philippe Dagaut
Topics & Concepts
IsomerizationChemistryThermochemistryRadicalKineticsDecompositionBranching (polymer chemistry)ThermodynamicsPhysical chemistryReaction mechanismStandard enthalpy of formationComputational chemistryOrganic chemistryCatalysisPhysicsQuantum mechanicsCatalysis and Oxidation ReactionsAtmospheric chemistry and aerosolsCatalytic Processes in Materials Science