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Quantitative Correlation of the Acute Toxicity of Phenylthio-carboxylates with Their Structural and Thermodynamic Parameters by DFT Calculation |
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| Authors: | HANXiang-Yun WANGZun-Yao YANGChun-Sheng |
| Institution: | Department of Chemical Engineering,Yancheng Institute of Technology,Yancheng,Jiangsu 224003,China;Department of Chemical Engineering,Yancheng Institute of Technology,Yancheng,Jiangsu 224003,China;College of Environment,Nanjing University,Nanjing,Jiangsu 210093,China |
| Abstract: | |
| Keywords: | acute toxicity linear solvation energy theory DFT method quantitative structure-activity relationships (QSAR) aquatic life |
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