Machine learning rate constants of hydrogen abstraction reactions between ester and H atom
Jinhui Yu, Shanshan Ruan, Hongwei Song, Lidong Zhang, Minghui Yang
Topics & Concepts
Arrhenius equationReaction rate constantHydrogen atom abstractionChemistryAlkylThermodynamicsHydrogen atomReaction rateCombustionHydrogenPhysical chemistryOrganic chemistryActivation energyPhysicsKineticsCatalysisQuantum mechanicsBiodiesel Production and ApplicationsFuel Cells and Related MaterialsAdvanced Combustion Engine Technologies