| 取代氮杂环类有机物水溶解度的估算与测定 |
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| 引用本文： | 廖宜勇,何艺兵.取代氮杂环类有机物水溶解度的估算与测定[J].环境化学,1996,15(2):147-150. |
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| 作者姓名： | 廖宜勇 何艺兵 |
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| 作者单位： | 南京大学环境科学与工程系!南京210093 |
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| 基金项目： | 国家自然科学基金资助项目 |
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| 摘 要： | 本文采用一种修正的分子连接性指数研究了氮杂环类化合物水溶解度的定量结构性性质关系，这种修正的分子连接性指数是由原子半么取代原子的点价计算得来。逐步多元统计回归表明氮杂环的水溶解度和２阶及５阶原子半么分子连接性指数呈良好的相关性。
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| 关 键 词： | 氮杂环类化合物 水溶解度 分子连接性指数 |
THE DETERMINATION AND ESTIMATION OF THE AQUEOUS SOLUBILITIES OF HETEROCYCLIC NITROGEN COMPOUNDS |
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| Liao Yiyong He Yibing Wang Liansheng.THE DETERMINATION AND ESTIMATION OF THE AQUEOUS SOLUBILITIES OF HETEROCYCLIC NITROGEN COMPOUNDS[J].Environmental Chemistry,1996,15(2):147-150. |
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| Authors: | Liao Yiyong He Yibing Wang Liansheng |
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| Abstract: | This article has presented a modified molecular connectivity indices used in the QSARs research of the aqueous solubilities of heterocyclic nitrogen compounds. This indices were derived from the substitution of the atom valence of vertex by atom radius in the calculations of the molecular connectivity indices. A very good result was obtained when using second and fifth atom radius connectivity indices in the regression analysis. |
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| Keywords: | heterocyclic nitrogen compounds generation column method aqueous solubility molecular connectivity indices |
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