SCI Journal Paper: 1. H. Zhao, S.J. Wang, J.Y. Sun, Y.J. Zhang, Y.Z. Tang*. 2023, OH-initiated degradation of 1,2,3-trimethylbenzene in the atmosphere and wastewater: Mechanisms, kinetics, and ecotoxicity,Science of The Total Environment. 2. H. Zhao, S.J. Wang, J.Y. Sun, Y.J. Zhang, Y.Z. Tang*. 2022, A new theoretical investigation on ·OH initiated oxidation of acephate in the environment: mechanism, kinetics, and toxicity, Environmental Science: Processes Impacts. 3. H. Zhao, Y.J.Sun ,Y.J. Zhang, S.J.Wang, G.C. Lu, Y.Z. Tang*, J. Guan, Y.R. Pan, 2022, Investigations on mechanisms, kinetics, and ecotoxicity in OH-initiated degradation of 1,2,4,5-tetramethylbenzene in the environment. Environmental Science and Pollution Research. 4. H. Zhao, S.J.Wang, G.C. Lu, Y.Z. Tang*, J. Guan, 2022, Theoretical investigations on the reactions of criegee intermediates with SO2 to form SO3.Journal of Physical Organic Chemistry. 5. G.C. Lu,H. Zhao, S.J.Wang,Y.Z. Tang*, 2022, Theoretical investigation on the gas phase reaction mechanism of methanol with Sn and Pb in sludge incineration. Journal of Physical Organic Chemistry. 6. Yao J.F, T.Z Tang, Y.J. Zhang, M. Ruan, W.Z. Wu, J.Y. Sun*, 2021, New theoretical investigation of mechanism, kinetics, and toxicity in the degradation of dimetridazole and ornidazole by hydroxyl radicals in aqueous phase. Journal of Hazardous Materials. 7.H. Zhao, G.C. Lu, Y.Z. Tang*, Y.J. Zhang, Y.J. Sun, 2022. A theoretical investigation on the degradation reactions of CH3CH2CH2NH and (CH3CH2CH2)2N radicals in the presence of NO, NO2 and O2. Chemosphere 8. Yao J.F, T.Z Tang, Y.J. Zhang, M. Ruan, W.Z. Wu, J.Y. Sun*, 2021, Quantum chemical study of the mechanisms, kinetics, and ecotoxicity assessment of OH radical-initiated reactions of 2,2 ',4,4 ',5,5 ' -hexabrominated diphenyl ether (BDE-153) in atmosphere and wastewater. Chemical Engineering Journal. 9.Y. Z. Tang*, G.C. Lu, Y.X. Shao, Y.J. Sun, S.H. Dong, 2021, Mechanisms of mercury with typical organics in the incineration of sewage sludge: A computational investigation.Inorganica Chimica Acta. 10.Y. Z. Tang*, G.C. Lu, Z.L. Han, F. Zhai, Z.H. Fu, 2020, Theoretical investigations on mechanisms and kinetics of OH+(CH3)2NNH2 reaction in the atmosphere.Theoretical Chemistry Accounts. 11. Y.Z. Tang*, G.C. Lu, J.Y. Sun, Y.X. Shao, Y. Gao, Z.H. Fu, 2020. Computational investigations on the HO2+CHBr2O2 reaction: mechanisms, products, and atmospheric implications. Environmental Science and Pollution Research. 12. W. Tan, L. Zhu,; T. Mikoviny, C.J. Nielsen*, Y.Z. Tang, A. Wisthaler, P. Eichler, M. Muller, B. D'Anna, N. J. Farren, 2021. Atmospheric Chemistry of 2-Amino-2-methyl-1-propanol: A Theoretical and Experimental Study of the OH-Initiated Degradation under Simulated Atmospheric Conditions.Journal Of Physical Chemistry A. 13. Y.J. Zhang*, Y.Z. Tang, 2020. Theoretical investigations on mechanisms and pathways of CH2FO2/CHF2O2 with ClO reactions in the atmosphere. Journal Of Fluorine Chemistry. 14. J.F. Yao, Y.N. Sun, Y.Z. Tang, Y.J. Zhang, W.Z. Wu, J.Y. Sun*, 2021.Atmospheric oxidation of 4-(2-methoxyethyl) phenol initiated by OH radical in the presence of O-2 and NOx: A mechanistic and kinetic study. International Journal Of Quantum Chemistry. 15. Y.N. Sun, J.F. Yao, Y.Z. Tang, Y.J. Zhang, W.Z. Wu, J.Y. Sun*, 2021.Theoretical study on the atmospheric degradation mechanism and subsequent products of E,E-2,4-hexadienal with hydroxyl radical. International Journal Of Quantum Chemistry. 16. G.C. Lu, Y.Z. Tang*, Y. Tong, H. Zhao, Z Cheng, J.Y. Sun, 2020. Reaction mechanisms and products of lead with C6H6 and C6H5OH in incineration of sludge: A theoretical exploration. Journal of Physical Organic Chemistry. 17. Y.J. Zhang*, Y.Z. Tang, B. He, 2020Computational study on the mechanisms and kinetics of the CH2BrO2+ ClO reaction in the atmosphere. RSC Advance. 18. G.C. Lu, Y.Z. Tang*, W. Zhang, X.S. Qu, Z.H. Fu. 2020. Theoretical Investigations on Mechanisms and Pathways of C2H5O2 with BrO Reaction in the Atmosphere. Molecules. |