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| QSPR of n-Octanol/water Partition Coefficient （lgKow） for Alkyl（1-phenylsulfonyl） Cycloalkane-carboxylates | |
| 引用本文： | 翟志才,柳红霞,王遵尧,赵林飞.QSPR of n-Octanol/water Partition Coefficient （lgKow） for Alkyl（1-phenylsulfonyl） Cycloalkane-carboxylates[J].结构化学,2009(2):143-150. |
| 作者姓名： | 翟志才 柳红霞 王遵尧 赵林飞 |
| 作者单位： | School;Biological;Chemical;Engineering;Jiaxing;University;Zhejiang;314001;China; |
| 基金项目： | Supported by the Key Program of National Natural Science Foundation of China (No. 20737001);;the National Science Foundation for Post-doctoral Scientists of China (No. 2003033486) |
| 摘 要： | |
| 关 键 词： | 量子化学 定量结构活动关系 烷基(1-苯磺酰)环烷羧酸酯 密度泛函理论 n-辛醇 |
QSPR of n-Octanol/water Partition Coefficient (lgK_(ow)) for Alkyl(1-phenylsulfonyl) Cycloalkane-carboxylates |
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| ZHAI Zhi-Cai LIU Hong-Xia WANG Zun-Yao ZHAO Lin-Fei.QSPR of n-Octanol/water Partition Coefficient (lgK_(ow)) for Alkyl(1-phenylsulfonyl) Cycloalkane-carboxylates[J].Chinese Journal of Structural Chemistry,2009(2):143-150. | |
| Authors: | ZHAI Zhi-Cai LIU Hong-Xia WANG Zun-Yao ZHAO Lin-Fei |
| Institution: | School of Biological and Chemical Engineering;Jiaxing University;Zhejiang 314001;China |
| Abstract: | |
| Keywords: | quantitative structure-property relationship (QSPR) alkyl(1-phenylsulfonyl) cycloalkane-carboxylate density functional theory (DFT) n-octanol/water partition coefficient (lgKow) molecular electronegativity distance vector (MEDV) |
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