Effects of atmospheric water on· OH-initiated oxidation of organophosphate flame retardants: a DFT investigation on TCPP C Li, J Chen, HB Xie, Y Zhao, D Xia, T Xu, X Li, X Qiao Environmental Science & Technology 51 (9), 5043-5051, 2017 | 91 | 2017 |
Mechanistic understanding of superoxide radical-mediated degradation of perfluorocarboxylic acids L Bai, Y Jiang, D Xia, Z Wei, R Spinney, DD Dionysiou, D Minakata, ... Environmental science & technology 56 (1), 624-633, 2021 | 69 | 2021 |
Development of prediction models on base-catalyzed hydrolysis kinetics of phthalate esters with density functional theory calculation T Xu, J Chen, Z Wang, W Tang, D Xia, Z Fu, H Xie Environmental science & technology 53 (10), 5828-5837, 2019 | 54 | 2019 |
Modeling adsorption of organic pollutants onto single-walled carbon nanotubes with theoretical molecular descriptors using MLR and SVM algorithms Y Wang, J Chen, W Tang, D Xia, Y Liang, X Li Chemosphere 214, 79-84, 2019 | 49 | 2019 |
Formation of free radicals by direct photolysis of halogenated phenols (HPs) and effects of DOM: A case study on monobromophenols J Jiang, H Zhao, D Xia, X Li, B Qu Journal of hazardous materials 391, 122220, 2020 | 43 | 2020 |
Prediction Models on pKa and Base-Catalyzed Hydrolysis Kinetics of Parabens: Experimental and Quantum Chemical Studies T Xu, J Chen, X Chen, H Xie, Z Wang, D Xia, W Tang, H Xie Environmental Science & Technology 55 (9), 6022-6031, 2021 | 41 | 2021 |
Potential application of machine-learning-based quantum chemical methods in environmental chemistry D Xia, J Chen, Z Fu, T Xu, Z Wang, W Liu, H Xie, WJGM Peijnenburg Environmental Science & Technology 56 (4), 2115-2123, 2022 | 33 | 2022 |
Determination of 21 antibiotics in sea cucumber using accelerated solvent extraction with in-cell clean-up coupled to ultra-performance liquid chromatography-tandem mass … M Zhu, H Zhao, D Xia, J Du, H Xie, J Chen Food chemistry 258, 87-94, 2018 | 32 | 2018 |
Atmospheric chemistry of allylic radicals from isoprene: a successive cyclization-driven autoxidation mechanism F Ma, X Guo, D Xia, HB Xie, Y Wang, J Elm, J Chen, J Niu Environmental Science & Technology 55 (8), 4399-4409, 2021 | 30 | 2021 |
Formation mechanisms of iodine–ammonia clusters in polluted coastal areas unveiled by thermodynamics and kinetic simulations D Xia, J Chen, H Yu, H Xie, Y Wang, Z Wang, T Xu, DT Allen Environmental Science & Technology 54 (15), 9235-9242, 2020 | 24 | 2020 |
Heterogeneous Formation of HONO Catalyzed by CO2 D Xia, X Zhang, J Chen, S Tong, H Xie, Z Wang, T Xu, M Ge, DT Allen Environmental Science & Technology 55 (18), 12215-12222, 2021 | 22 | 2021 |
Role of hydrogen bond capacity of solvents in reactions of amines with CO2: a computational study T Wang, HB Xie, Z Song, J Niu, DL Chen, D Xia, J Chen Journal of Environmental Sciences 91, 271-278, 2020 | 17 | 2020 |
Probing key organic substances driving new particle growth initiated by iodine nucleation in coastal atmosphere Y Wan, X Huang, B Jiang, B Kuang, M Lin, D Xia, Y Liao, J Chen, JZ Yu, ... Atmospheric Chemistry and Physics 20 (16), 9821-9835, 2020 | 16 | 2020 |
Atmospheric chemical reaction mechanism and kinetics of 1, 2-bis (2, 4, 6-tribromophenoxy) ethane initiated by OH radical: a computational study Q Yu, HB Xie, T Li, F Ma, Z Fu, Z Wang, C Li, Z Fu, D Xia, J Chen RSC advances 7 (16), 9484-9494, 2017 | 15 | 2017 |
Counterintuitive oxidation of alcohols at air–water interfaces D Xia, J Chen, HB Xie, J Zhong, JS Francisco Journal of the American Chemical Society 145 (8), 4791-4799, 2023 | 11 | 2023 |
Spontaneous Degradation of the “Forever Chemicals” Perfluoroalkyl and Polyfluoroalkyl Substances (PFASs) on Water Droplet Surfaces D Xia, H Zhang, Y Ju, H Xie, L Su, F Ma, J Jiang, J Chen, JS Francisco Journal of the American Chemical Society 146 (16), 11266-11271, 2024 | 9 | 2024 |
Simulating and predicting adsorption of organic pollutants onto black phosphorus nanomaterials L Su, Y Wang, Z Wang, S Zhang, Z Xiao, D Xia, J Chen Nanomaterials 12 (4), 590, 2022 | 8 | 2022 |
Organic acid-ammonia ion-induced nucleation pathways unveiled by quantum chemical calculation and kinetics modeling: a case study of 3-methyl-1, 2, 3-butanetricarboxylic acid D Xia, J Chen, Y Wang, T Xu, L Su, H Xie, DT Allen Chemosphere 284, 131354, 2021 | 5 | 2021 |
Predicting adsorption of organic compounds onto graphene and black phosphorus by molecular dynamics and machine learning L Su, Z Wang, Y Wang, Z Xiao, D Xia, S Zhang, J Chen Environmental Science and Pollution Research 30 (50), 108846-108854, 2023 | 3 | 2023 |
Prediction model on hydrolysis kinetics of phthalate monoester: A density functional theory study T Xu, J Chen, D Xia, W Tang, J Cui, C Liu, S Li Journal of Environmental Sciences 135, 51-58, 2024 | 2 | 2024 |