Computer-aided estimation of kinetic rate constant for degradation of volatile organic compounds by hydroxyl radical: An improved model using quantum chemical and norm descriptors
Yajuan Shi, Jin‐Jin Li, Qiang Wang, Qingzhu Jia, Fangyou Yan, Zheng‐Hong Luo, Yin‐Ning Zhou
Topics & Concepts
Reaction rate constantQuantum chemicalHydroxyl radicalKinetic energyChemistryDegradation (telecommunications)Constant (computer programming)Computational chemistryKineticsBiological systemThermodynamicsOrganic chemistryRadicalComputer sciencePhysicsMoleculeClassical mechanicsTelecommunicationsBiologyProgramming languageFree Radicals and AntioxidantsWater Quality Monitoring and AnalysisAdvanced oxidation water treatment