From electronic structure to model application of key reactions for gasoline/alcohol combustion: Hydrogen-atom abstraction by CH3OȮ radicals
Caiyu Yang, Jin-Tao Chen, Xincheng Zhu, Xin Bai, Yang Li, Kiran K. Yalamanchi, S. Mani Sarathy, S. Scott Goldsborough, Song Cheng, Henry J. Curran, Chong-Wen Zhou
Topics & Concepts
Hydrogen atom abstractionChemistryReaction rate constantRadicalGasolineHydrogenHydrogen atomTransition state theoryThermodynamicsComputational chemistryPhysical chemistryAlkylOrganic chemistryKineticsPhysicsQuantum mechanicsAdvanced Combustion Engine TechnologiesAdvanced Chemical Physics StudiesAtmospheric chemistry and aerosols