Reactivity and mechanism between OH and phenolic pollutants: Efficiency and DFT calculation
Tingting Cao, Tiefu Xu, Fengxia Deng, Wei-wei Qiao, Chongwei Cui
Topics & Concepts
ChemistryReactivity (psychology)Density functional theoryMolecular orbitalPhenolRing (chemistry)PhotochemistryReaction mechanismGibbs free energyProtein Data Bank (RCSB PDB)Computational chemistryMedicinal chemistryMoleculeStereochemistryOrganic chemistryPathologyCatalysisQuantum mechanicsMedicinePhysicsAlternative medicineFree Radicals and AntioxidantsAdvanced oxidation water treatmentAtmospheric chemistry and aerosols