Prediction of reaction mechanism for OH radical-mediated phenol oxidation using quantum chemical calculation
Dhimas Dwinandha, Bei Zhang, Manabu Fujii
Topics & Concepts
ChemistryReaction rate constantHydroquinoneTransition state theoryPhenolReaction mechanismElectrophileComputational chemistryHydroxyl radicalElementary reactionTransition stateAdvanced oxidation processPhysical chemistryKineticsRadicalOrganic chemistryCatalysisQuantum mechanicsPhysicsAdvanced oxidation water treatmentFree Radicals and AntioxidantsPharmaceutical and Antibiotic Environmental Impacts