Theoretical study on hydrogen abstraction reactions from pentane isomers by NO2
Zhe Ren, Yaozong Duan, Wenming Yang, Dong Han
Topics & Concepts
PentaneChemistryReaction rate constantHydrogen atom abstractionTransition state theoryTransition stateArrhenius equationReaction coordinateComputational chemistryConformational isomerismNeopentanePhysical chemistryIsomerizationThermodynamicsHydrogenActivation energyMoleculeKineticsOrganic chemistryPhysicsCatalysisQuantum mechanicsCatalytic Processes in Materials ScienceAtmospheric chemistry and aerosolsAdvanced Combustion Engine Technologies