Rate constants for H-atom abstraction reactions from mono-aromatic hydrocarbons by H, CH3, OH and 3O2: A systematic theoretical investigation
Luna Pratali Maffei, Matteo Pelucchi, René Daniel Büttgen, Karl Alexander Heufer, Tiziano Faravelli, Carlo Cavallotti
Topics & Concepts
AnisoleChemistryTolueneBenzeneReactivity (psychology)Reaction rate constantPhenolEthylbenzeneComputational chemistryOrganic chemistryKineticsCatalysisMedicineQuantum mechanicsPhysicsAlternative medicinePathologyAdvanced Combustion Engine TechnologiesBiodiesel Production and ApplicationsThermochemical Biomass Conversion Processes