Theoretical calculation of low-temperature oxidation of heptyl radicals and O2
Junrui Duan, Jie Ji, Lili Ye, Qinghui Meng, Yitong Zhai, Lidong Zhang
Topics & Concepts
RadicalChemistryIntramolecular forceTransition state theoryCombustionHeptaneReaction rate constantActivation energyTransition statePhotochemistryKinetic energyChemical kineticsPhysical chemistryChemical reactionElementary reactionArrhenius equationThermodynamicsComputational chemistryKineticsOrganic chemistryCatalysisQuantum mechanicsPhysicsAdvanced Combustion Engine TechnologiesAtmospheric chemistry and aerosolsCatalytic Processes in Materials Science