Rate constants of hydroxyl radical oxidation of polychlorinated biphenyls in the gas phase: a single-descriptor based QSAR and DFT study
Computational chemistry, Chemical analysis, Density functional theory, Gases, Molecular graphics, Organic chemicals, Organic pollutants, Oxidation, Polarization, Polychlorinated biphenyls, Principal component analysis, Quantum chemistry, Rate constants, Thermodynamics, Descriptors, Hydroxyl radicals, Kinetics and thermodynamics, Polarizabilities, Polychlorinated biphenyl (PCBs), Quantitative structure-activity relationship modeling, Quantum chemical descriptors, Second-order rate constants
Z Yang, S Luo, Z Wei, T Ye, R Spinney, Dong Chen, and R Xiao (2016).
Rate constants of hydroxyl radical oxidation of polychlorinated biphenyls in the gas phase: a single-descriptor based QSAR and DFT study. Environmental Pollution.211, 157-164. Elsevier Ltd.