1. Xianwei Zhao, Xiangli Shi, Xiaohui Ma, Junjie Wang, Fei Xu*, Qingzhu Zhang*, Ying Li, Zhuochao Teng, Yanan Han, Qiao Wang, and Wenxing Wang, Simulation Verifification of Barrierless HONO Formation from the Oxidation Reaction System of NO, Cl, and Water in the Atmosphere. Environmental Science & Technology, 2021, 55(12), 7850-7857.
2. Chenpeng Zuo, Hetong Wang, Xianwei Zhao, Siyuan Zheng, Fei Xu*, Qingzhu Zhang, A Theoretical Study of the Hydrogen-bonded Molecular Clusters of Sulfuric Acid and Organic Acids with Amides. Journal of Environmental Sciences , 2021, 100, 328-339.3.
3. Xianwei Zhao, Yunfeng Li, Chenpeng Zuo, Yanhui Sun, Fei Xu*, Alexey B. Nadykto, Lin Du, Yisheng Xu, Qingzhu Zhang, Wenxing Wang, Propionamide Participating in H2SO4-based New Particle Formation: a theory study. Rsc Advances, 2021, 11, 493.
4. Zhuochao Teng, Xianwei Zhao, Hetong Wang, Ying Li, Yanan Han, Yanhui Sun and Fei Xu*, Mechanism and Kinetic Properties for the Complete series Reactions of Chloro(thio)phenols with O(3P) under High Temperature Conditions, RSC Advances, 2021, 11, 17683.
5. Xianwei Zhao, Xiangli Shi, Xiaohui Ma, Chenpeng Zuo, Hetong Wang, Fei Xu*, Yanhui Sun, Qingzhu Zhang, 2-Methyltetrol Sulfate Ester-Initiated Nucleation Mechanism Enhanced by Common Nucleation Precursors: A Theory Study. Science of Total Environment, 2020, 723, 137987.
6. Hetong Wang, Xianwei Zhao, Chenpeng Zuo, Xiaohui Ma, Fei Xu*, Yanhui Sun, Qingzhu Zhang, A Molecular Understanding of the Interaction of Typical Aromatic Acids with Common Aerosol Nucleation Precursors and Their Atmospheric Implications. RSC Advances, 2019, 9, 36171-36181.
7. Xuan Li, Yixiang Gao, Chenpeng Zuo, Siyuan Zheng, Fei Xu*, Yanhui Sun, Qingzhu Zhang, The Gas-Phase Formation Mechanism of Dibenzofuran (DBF), Dibenzothiophene (DBT), and Carbazole (CA) from Benzofuran (BF), Benzothiophene (BT), and Indole (IN) with Cyclopentadienyl Radical. International Journal of Molecular Sciences, 2019, 20(21), 5420.5.
8. Hetong Wang, Chenpeng Zuo, Siyuan Zheng, Yanhui Sun, Fei Xu*, Qingzhu Zhang, Mechanistic and Kinetic Study on Self-/Cross- Condensation of PCTA/DT Formation Mechanisms from Three Types of Radicals of 2,4-Dichlorothiophenol. International Journal of Molecular Sciences, 2019, 20(11), 2623.6.
9. Chenpeng Zuo, Hetong Wang, Wenxiao Pan, Siyuan Zheng, Fei Xu*, Qingzhu Zhang, Quantum chemical and kinetic study on radical/molecule formation mechanism of pre-intermediates for PCTA/PT/DT/DFs from 2-chlorothiophenol and 2-chlorophenol precursors.International Journal of Molecular Sciences, 2019, 20(7), 1542.7.
10. Siyuan Zheng, Xianwei Zhao, Yunfeng Li, Fei Xu*, Qingzhu Zhang, Mechanism and thermal rate constants for complete series reactions of bromochlorophenols with H. RSC Advances, 2018, 8, 4259-4272.8. Fei Xu,Xiangli Shi, Qingzhu Zhang*, Wenxing Wang.Mechanism for the Growth of PolycyclicAromatic Hydrocarbons from the Reactions of Naphthalene with Cyclopentadienyl and Indenyl. Chemosphere, 2016, 162, 345-354.9.
11. Fei Xu,Xiangli Shi, Qingzhu Zhang*, Wenxing Wang,Formation of chlorotriophenoxyradicals from complete series reactions of chlorotriophenols with H and OHradicals,International Journal of Molecular Sciences, 2015, 16(8),18714-1873.
12. Fei Xu, Xiangli Shi, Qingzhu Zhang*, Quantum chemical and kinetic study onpolychlorinated naphthalene formation from 3-chlorophenol precursor,InternationalJournal of Molecular Sciences, 2015,16(9), 20620-20640.
13. Fei Xu, Ruiming Zhang, Yunfeng Li, Qingzhu Zhang*, Homogeneous gas-phaseformation of polychlorinated naphthalene from dimerization of 4-chlorophenoxyradicals and cross-condensation of phenoxy radical with 4-chlorophenoxyradical: Mechanism and kinetics study,Chemical Physics Letters, 2015,638, 153-160.
14. Fei Xu, Xiangli Shi , Yunfeng Li , Qingzhu Zhang*, Mechanistic and kineticstudies on the homogeneous gas-phase formation of PCTA/DTs from2,4-dichlorothiophenol and 2,4,6-trichlorothiophenol,International Journal of Molecular Sciences,2015, 16(9), 20449-20467.
15. Fei Xu*, Ruiming Zhang, Yunfeng Li, Qingzhu Zhang, Wenxing Wang,Theoretical mechanistic and kinetic studies on homogeneous gas-phase formationof polychlorinated naphthalene from 2-chlorophenol as forerunner,International Journal of Molecular Sciences,2015, 16(10), 25641-25656 .
16. Fei Xu,Wanni Yu, Qin Zhou, Rui Gao, Xiaoyan Sun, Qingzhu Zhang*, Wenxing Wang.Mechanism and Direct Kinetic Study of the Polychlorinated Dibenzo-p-dioxin andDibenzofuran Formations from the Radical/Radical Cross-Condensation of2,4-Dichlorophenoxy with 2-Chlorophenoxy and 2,4,6-Trichlorophenoxy.Environ. Sci. & Technol, 2011, 45(2),643-650.
17. Fei Xu,Wanni Yu, Rui Gao, Qin Zhou, Qingzhu Zhang*, Wenxing Wang. Dioxin Formationsfrom the Radical/Radical Cross-Condensation of Phenoxy Radicals with2-Chlorophenoxy Radicals and2,4,6-Trichlorophenoxy Radicals.Environ. Sci. & Technol,2010, 44(17),6745-6751.
18. Fei Xu, Hui Wang, Qingzhu Zhang*,Ruixue Zhang, Xiaohui Qu, Wenxing Wang. Kinetic Properties for the CompleteSeries Reactions of Chlorophenols with OH Radicals-Relevance for DioxinFormation.Environ. Sci. & Technol,2010, 44(4), 1399-1404.
19. Xiangli Shi, Wanni Yu,Fei Xu,Qingzhu Zhang*, Jingtian Hu, Wenxing Wang, PBCDD/Fformation from radical/radical cross-condensation of 2-chlorophenoxy with2-bromophenoxy, 2,4-dichlorophenoxy with 2,4-dibromophenoxy, and2,4,6-trichlorophenoxy with 2,4,6-tribromophenoxy,Journal of Hazardous Materials, 2015, 295, 104-111.
20. XiangliShi, Ruiming Zhang, Haijun Zhang,FeiXu,Qingzhu Zhang*, Wenxing Wang, Influence of water on the homogeneousgas-phase formation mechanism of polyhalogenated dioxins/furans fromchlorinated/brominated phenols as precursors,Chemosphere, 2015, 137, 142-148.
21. RuiGao, Ledong Zhu,Fei Xu, Wanni Yu,Qingzhu Zhang*, Wenxing Wang, Homogeneous gas-phase formation mechanism ofemerging organic pollutants polyfluorinated dibenzo-p-dioxins and dibenzofuransfrom 2-fluorophenol,Asian Journal of Chemistry, 2014, 26(9), 2784-2788.
22. Rui Gao,Fei Xu, Shanqing Li, Jingtian Hu, Qingzhu Zhang, Wenxing Wang.Formation of Bromophenoxy Radicals from Complete Series Reactions ofBromophenols with H and OH Radicals.Chemosphere,2013, 92(4), 382-390.
23. Qingzhu Zhang*, Rui Gao,Fei Xu, Qin Zhou, Guibin Jiang, TaoWang, Jianmin Chen, Jingtian Hu, Wei Jiang, Wenxing Wang*. Role of WaterMolecule in the Gas-Phase Formation Process of Nitrated Polycyclic AromaticHydrocarbons in the Atmosphere: A Computational Study.Environmental Science & Technology, 2014, 48(9), 5051-5057.
24. Qingzhu Zhang, Wanni Yu, Pengfei Li,Fei Xu, Jingtian Hu, Wenxing Wang.Quantum Chemical and Direct Dynamic Study on Homogeneous Gas-phase Formation ofPBDD/Fs from 2,4,5-Tribromophenol and 3,4-Dibromophenol.Chemosphere, 2013 , 93(3), 512-520.
25. Wanni Yu, Jingtian Hu,Fei Xu, Xiaoyan Sun, Rui Gao, Qingzhu Zhang*,Wenxing Wang. Mechanism and Direct Kinetics Study on the Homogeneous Gas-PhaseFormation of PBDD/Fs from 2-BP, 2,4-DBP, and 2,4,6-TBP as Precursors.Environ. Sci. & Technol, 2011,45(5), 1917-1925.
26. Xiaoyan Sun, Yueming Hu,Fei Xu, Qingzhu Zhang, Wenxing Wang.Mechanism and Kinetic Studies for OH Radical-initiated Atmospheric Oxidation ofMethyl Propionate.Atmos. Environ,2012, 63, 14-21.
