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| Studies on the Quantitative Structure-activity Relationship of Substituted Biphenyls by Density Function Theory （DFT） | |
| 引用本文： | HAN Xiang-Yun ② ZHENG Qing.Studies on the Quantitative Structure-activity Relationship of Substituted Biphenyls by Density Function Theory （DFT）[J].结构化学,2007,26(2):229-233. |
| 作者姓名： | HAN Xiang-Yun ② ZHENG Qing |
| 作者单位： | Department of Chemical Engineering，Yancheng Institute of Technology，Jiangsu 224003，China |
| 基金项目： | 江苏大学自然科学研究基金 |
| 摘 要： | |
| 关 键 词： | 联苯 溶剂化 密度函数 毒性 |
Studies on the Quantitative Structure-activity Relationship of Substituted Biphenyls by Density Function Theory (DFT) |
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| HAN Xiang-Yun,ZHENG Qing.Studies on the Quantitative Structure-activity Relationship of Substituted Biphenyls by Density Function Theory (DFT)[J].Chinese Journal of Structural Chemistry,2007,26(2):229-233. | |
| Authors: | HAN Xiang-Yun ZHENG Qing |
| Institution: | Department of Chemical Engineering, Yancheng Institute of Technology, Jiangsu 224003, China |
| Abstract: | |
| Keywords: | substituted biphenyl linear solvation energy theory DFT method Daphnia magna toxicity Density Function Theory Biphenyls Substituted Relationship Quantitative creditability stability model absolute variables standard confidence range entropy dipole moment water partition coefficients thermodynamic parameters equation |
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