| 应用分子拓扑理论预测卤代芳烃的正辛醇/水分配系数 |
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| 引用本文： | 唐平,余训民.应用分子拓扑理论预测卤代芳烃的正辛醇/水分配系数[J].环境科学与技术,1999(3):20-23. |
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| 作者姓名： | 唐平 余训民 |
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| 作者单位： | [1]江汉大学城环系 [2]湖北荆州师范学院化学系 |
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| 摘 要： | 以分子拓扑理论为基础，提出了一个新的拓扑指数Ｙ，并用Ｙ研究了部分卤代芳烃的正辛醇／水分配系数ＫＯＷ。研究表明，Ｙ与卤代芳烃的正辛醇／水分配系数ＫＯＷ的ｌｏｇＫＯＷ呈良好的线性关系，并给出了相关方程。新方法计算方便、精确度高、物理意义明确
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| 关 键 词： | 拓扑理论 卤代芳烃 正辛醇／水分配系数 |
The Prediction of the n-octyl alcohol/water partition coefficient of some halogenated arene by the molecular topological theory |
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| Tang Ping.The Prediction of the n-octyl alcohol/water partition coefficient of some halogenated arene by the molecular topological theory[J].Environmental Science and Technology,1999(3):20-23. |
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| Authors: | Tang Ping |
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| Abstract: | Based on the molecular topological thoery we introduce a new topologicai index Y and use it to study for some halogenated arena the n-octyl alcohol/water partition coefficient KOW.Our research indicates that for the above n-octyl alcohol/water partition coefficient KOW,there is a good linear relation between Y and logKOW and the related equation is eslablished.For this new method the calculation is convenient and the result is acurate and has clear physical significane. |
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| Keywords: | Topological thoery Halogenated arene n-octyl alcohol/water partition |
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