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Prediction of Aqueous Solubility for 209 Polychlorinated Diphenyl Ethers from Molecular Structural Parameters by DFT Method |
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| Authors: | XIE Ya-Jie LIU Hong-Xia WANG Zun-Yao ZHU Li-Dan |
| Institution: | School of Biological and Chemical Engineering, Jiaxing University, Jiaxing, Zhejiang 314001, China |
| Abstract: | |
| Keywords: | persistent organic pollutants (POPs) polychlorinated diphenyl ethers (PCDEs) aqueous solubility (-lgSw) quantitative structure-property relationship (QSPR) density functional theory (DFT) method |
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