| Evaluation of the binding performance of flavonoids to estrogen receptor alpha by Autodock, Autodock Vina and Surflex-Dock Q Xue, X Liu, P Russell, J Li, W Pan, J Fu, A Zhang Ecotoxicology and Environmental Safety 233, 113323, 2022 | 129 | 2022 |
| Long-range transport, trophic transfer, and ecological risks of organophosphate esters in remote areas J Fu, K Fu, Y Chen, X Li, T Ye, K Gao, W Pan, A Zhang, J Fu Environmental Science & Technology 55 (15), 10192-10209, 2021 | 120 | 2021 |
| Silver nanoplates prepared by modified galvanic displacement for surface-enhanced Raman spectroscopy Y Lai, W Pan, D Zhang, J Zhan Nanoscale 3 (5), 2134-2137, 2011 | 76 | 2011 |
| Occurrence and trophic transfer of per-and polyfluoroalkyl substances in an Antarctic ecosystem K Gao, X Miao, J Fu, Y Chen, H Li, W Pan, J Fu, Q Zhang, A Zhang, ... Environmental Pollution 257, 113383, 2020 | 73 | 2020 |
| Understanding the mechanism of cellulose dissolution in 1-butyl-3-methylimidazolium chloride ionic liquid via quantum chemistry calculations and molecular dynamics simulations H Xu, W Pan, R Wang, D Zhang, C Liu Journal of computer-aided molecular design 26, 329-337, 2012 | 64 | 2012 |
| Morphology‐Dependent Gas‐Sensing Properties of ZnO Nanostructures for Chlorophenol Z Li, W Pan, D Zhang, J Zhan Chemistry–An Asian Journal 5 (8), 1854-1859, 2010 | 48 | 2010 |
| Environmental behaviour of short-chain chlorinated paraffins in aquatic and terrestrial ecosystems of Ny-Ålesund and London Island, Svalbard, in the Arctic H Li, J Fu, W Pan, P Wang, Y Li, Q Zhang, Y Wang, A Zhang, Y Liang, ... Science of the Total Environment 590, 163-170, 2017 | 47 | 2017 |
| New insight into the formation mechanism of PCDD/Fs from 2-chlorophenol precursor W Pan, D Zhang, Z Han, J Zhan, C Liu Environmental science & technology 47 (15), 8489-8498, 2013 | 44 | 2013 |
| Theoretical investigation on the inclusion of TCDD with β-cyclodextrin by performing QM calculations and MD simulations W Pan, D Zhang, J Zhan Journal of hazardous materials 192 (3), 1780-1786, 2011 | 26 | 2011 |
| The effect of structural diversity on ligand specificity and resulting signaling differences of estrogen receptor α Q Xue, X Liu, XC Liu, WX Pan, JJ Fu, AQ Zhang Chemical Research in Toxicology 32 (6), 1002-1013, 2019 | 25 | 2019 |
| Adsorption of TCDD with 1-butyl-3-methylimidazolium dicyanamide ionic liquid: A combined molecular dynamics simulation and quantum chemistry study W Pan, Y Qi, R Wang, Z Han, D Zhang, J Zhan Chemosphere 91 (2), 157-164, 2013 | 21 | 2013 |
| Formation Pathways of Mono- to Octa-Chlorinated Dibenzo-p-dioxins and Dibenzofurans in Main Organochemical Industries Y Han, W Liu, W Pan, P Wang, Z Tian, Y Zhao, M Wang, X Chen, X Liao, ... Environmental Science & Technology 49 (18), 10945-10950, 2015 | 18 | 2015 |
| Interfacial formation of environmentally persistent free radicals—A theoretical investigation on pentachlorophenol activation on montmorillonite in PM2. 5 W Pan, J Chang, X Liu, Q Xue, J Fu, A Zhang Ecotoxicology and Environmental Safety 169, 623-630, 2019 | 17 | 2019 |
| A novel computational solution to the health risk assessment of air pollution via joint toxicity prediction: A case study on selected PAH binary mixtures in particulate matters X Liu, H Zhang, W Pan, Q Xue, J Fu, G Liu, M Zheng, A Zhang Ecotoxicology and Environmental Safety 170, 427-435, 2019 | 16 | 2019 |
| The formation of PBDFs from the ortho-disubstituted phenol precursors: A comprehensive theoretical study on the PBDD/Fs formation from 2, 4, 6-tribromophenol J Chang, W Pan, X Liu, Q Xue, J Fu, A Zhang Science of The Total Environment 713, 136657, 2020 | 15 | 2020 |
| Theoretical evaluation of the configurations and Raman spectra of 209 polychlorinated biphenyl congeners Y Lai, W Pan, S Ni, D Zhang, J Zhan Chemosphere 85 (3), 412-417, 2011 | 13 | 2011 |
| Theoretical study of the reactions of 2-chlorophenol over the dehydrated and hydroxylated silica clusters W Pan, W Zhong, D Zhang, C Liu The Journal of Physical Chemistry A 116 (1), 430-436, 2012 | 12 | 2012 |
| Theoretical study on the formation mechanism of pre-intermediates for PXDD/Fs from 2-Bromophenol and 2-Chlorophenol precursors via radical/molecule reactions W Pan, J Fu, A Zhang Environmental Pollution 225, 439-449, 2017 | 11 | 2017 |
| Theoretical elucidation of the origin of surface‐enhanced Raman spectra of PCB52 adsorbed on silver substrates WX Pan, YC Lai, RX Wang, DJ Zhang, JH Zhan Journal of Raman Spectroscopy 45 (1), 54-61, 2014 | 9 | 2014 |
| Computational Insights into the Allosteric Effect and Dynamic Structural Features of the SARS‐COV‐2 Spike Protein Q Xue, X Liu, W Pan, A Zhang, J Fu, G Jiang Chemistry–A European Journal 28 (6), e202104215, 2022 | 8 | 2022 |
