Theoretical analysis and kinetic modeling of hydrogen abstraction and addition of 1,3-cyclopentadiene and associated reactions on the C5H7 potential energy surface
Qian Mao, Liming Cai, Heinz Pitsch
Topics & Concepts
ChemistryReaction rate constantHydrogen atom abstractionThermodynamicsPhysical chemistryElementary reactionTransition state theoryHydrogenPropyneChemical kineticsComputational chemistryReaction rateChemical reactionCombustionEnthalpyPhotochemistryKineticsOrganic chemistryCatalysisQuantum mechanicsPhysicsAdvanced Combustion Engine TechnologiesCombustion and flame dynamicsAdvanced Chemical Physics Studies