From electronic structure to model application of key reactions for gasoline/alcohol combustion: Hydrogen-atom abstractions by CH3Ȯ radical
Kiran K. Yalamanchi, Xin Bai, Nivain D. Fernando, Adrian S. Lua, Song Cheng, Yang Li, Chong‐Wen Zhou, S. Scott Goldsborough, Subram Mani Sarathy
Topics & Concepts
ChemistryHydrogen atom abstractionReaction rate constantThermodynamicsGasolineTransition state theoryHydrogenOctaneCyclopentanePhysical chemistryElementary reactionComputational chemistryKineticsOrganic chemistryPhysicsQuantum mechanicsAdvanced Chemical Physics StudiesAtmospheric chemistry and aerosolsFree Radicals and Antioxidants