Ab initio kinetics for H-atom abstraction from C1–C5 hydrocarbon and oxygenated species by CH3Ȯ radicals
Xuan Ren, Xin Bai, Mengmeng Jia, Shuyuan Liu, Yu Han, Ruoyue Tang, Song Cheng, Chong‐Wen Zhou, Henry J. Curran, Yang Li
Topics & Concepts
RadicalHydrocarbonKineticsChemistryAb initioComputational chemistryAbstractionAtom (system on chip)Ab initio quantum chemistry methodsPhotochemistryPhysical chemistryOrganic chemistryMoleculePhysicsPhilosophyEpistemologyQuantum mechanicsComputer scienceEmbedded systemAdvanced Combustion Engine TechnologiesCatalytic Processes in Materials ScienceAdvanced Chemical Physics Studies