1. Yu Huang, Xiao Zhang, Chao Li*, Yuanhui Zhao, Ya-nan Zhang, Jiao Qu. Atmospheric persistence and toxicity evolution for fluorinated biphenylethyne liquid crystal monomers unveiled by in silico methods. J. Hazard. Mater. 2022, 424: 127519
2. Yi Yang, Limin Su, Ying Huang, Xiao Zhang, Chao Li*, Jia Wang, Lingyun Fan, Shuo Wang, Yuanhui Zhao. Bio-uptake, tissue distribution and metabolism of a neonicotinoid insecticide clothianidin inzebrafish. Environ. Pollut. 2022, 292: 118317
3. Xiao Zhang, Shaochen Li, Yandong Yang, Yuanhui Zhao, Jiao Qu, Chao Li*. Predicting reaction rate constants of ozone with ionic/non-ionic compounds in water. Sci. Total Environ. 2022, 835: 155501
4. Chao Li,* Yu Huang, Xiao Zhang, Yuanhui Zhao, and Yang Huo*. Atmospheric Fate and Risk Investigation of Typical Liquid Crystal Monomers. ACS Sustainable Chem. Eng. 2021, 9: 3600−3607
5. Jia Wang, Ying Huang, Shuo Wang, Yi Yang, Jia He, Chao Li*, Yuanhui Zhao*, Christopher J. Martyniuk. Identification of active and inactive agonists/antagonists of estrogen receptor based on Tox21 10K compound library: Binomial analysis and structure alert. Ecotox. Environ. Saf. 2021, 214: 112114
6. Gaoliang Wei, Yongsheng Zhao*, Jun Dong, Miao Gao, Chao Li*. Electrochemical cleaning of fouled laminar graphene membranes. Environ. Sci. Technol. Let. 2020, 7(10): 773–778
7. Yu Huang, Tiantian Li, Shanshan Zheng, Lingyun Fan, Limin Su, Yuanhui Zhao, Hong-Bin Xie, Chao Li*. QSAR modeling for the ozonation of diverse organic compounds in water. Sci. Total Environ. 2020, 715: 136816.
8. Tiantian Li, Yu Huang, Gaoliang Wei, Ya-nan Zhang, Yuanhui Zhao, John C. Crittenden, Chao Li*. Quantitative structure-activity relationship models for predicting singlet oxygen reaction rate constants of dissociating organic compounds. Sci. Total Environ. 2020, 735: 139498.
9. Chao Li, Shanshan Zheng1, Tiantian Li, Jingwen Chen, Junhui Zhou, Limin Su, Ya-Nan Zhang, John C. Crittenden, Suiyi Zhu, Yuanhui Zhao*. Quantitative structure-activity relationship models for predicting reaction rate constants of organic contaminants with hydrated electrons and their mechanistic pathways. Water Res. 2019, 151: 468–477
10. Tao Huang, Di Zhu, Yi yang, Yu Huang, Shengnan Zhang, Weichao Qin, Chao Li*, Yuanhui Zhao*. Theoretical consideration on the prediction of in vivo toxicity from in vitro toxicity: Effect of bio-uptake equilibrium, kinetics and mode of action. Chemosphere 2019, 221: 433–440
11. Shuo Wang, Lichen Yan, Shanshan Zheng, Tiantian Li, Lingyun Fan, Tao Huang, Chao Li*, Yuanhui Zhao*. Toxicity of some prevalent organic chemicals to tadpoles and comparison with toxicity to fish based on mode of toxic action. Ecotoxicol. Environ. Saf. 2019, 167: 138–145.
12. Chao Li, Shanshan Zheng, Jingwen Chen, Hong-Bin Xie, Ya-Nan Zhang, Yuanhui Zhao*, Zheng Du. Kinetics and mechanism of OH-initiated atmospheric oxidation of organophosphorus plasticizers: A computational study on tri-p-cresyl phosphate. Chemosphere 2018, 201: 557–563
13. Chao Li, Gaoliang Wei, Jingwen Chen*, Yuanhui Zhao*, Ya-Nan Zhang, Limin Su, Weichao Qin. Aqueous OH radical reaction rate constants for organophosphorus flame retardants and plasticizers: experimental and modeling studies. Environ. Sci. Technol. 2018, 52: 2790−2799
14. Chao Li, Jingwen Chen*, Hong-Bin Xie, Yuanhui Zhao, Deming Xia, Tong Xu, Xuahua Li, Xianliang Qiao. Effects of atmospheric water on ·OH-initiated oxidation of organophosphate flame retardants: A DFT investigation on TCPP. Environ. Sci. Technol. 2017, 51(9): 5043–5051
15. Chao Li, Hong-Bin Xie, Jingwen Chen*, Xianhai Yang, Yifei Zhang, Xianliang Qiao. Predicting gaseous reaction rates of short chain chlorinated paraffins with ·OH: overcoming the difficulty in experimental determination. Environ. Sci. Technol. 2014, 48(23): 13808–13816