| 用于预测烯烃热力学性质的一种新拓扑指数 |
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| 引用本文： | 胡斌,王凤英.用于预测烯烃热力学性质的一种新拓扑指数[J].青海师专学报,2003,23(6):95-97. |
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| 作者姓名： | 胡斌 王凤英 |
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| 作者单位： | 青海民族学院化学系，青海民族学院化学系 青海西宁810007，青海西宁810007 |
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| 摘 要： | 根据拓扑学原理，运用图论方法，基于分子距离矩阵和邻接矩阵提出一种新的分子拓扑指数YH，计算43种烯烃的YH值并与其热力学函数及沸点相关联，结果表明，具有良好的性质相关性和结构选择性．
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| 关 键 词： | 烯烃热力学 拓扑指数 图论 定量结构-性质关系 结构选择性 |
| 文章编号： | 1007-0117(2003)06-0095-03 |
| 修稿时间： | 2003年10月10 |
A New Topological Index Used for Thermodynamical Functions of Alkens |
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| HU Bin,WANG Feng-ying.A New Topological Index Used for Thermodynamical Functions of Alkens[J].Journal of Qinghai Junior Teachers' College,2003,23(6):95-97. |
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| Authors: | HU Bin WANG Feng-ying |
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| Institution: | HU Bin~1,WANG Feng-ying~2 |
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| Abstract: | A novel topological index called Y-index is developed based simultameously on the bond distance and bond adjacent matrices for a molecular.The topological index Y is of good resolution and high recognition for various molecular structures and of good relationship with the physical properties and thermodynamical function,shch as combustion heat,form ation heat,boiling points of 43 alkenes.The results show that the Y-index is applicable to QSPR studies with good selection and high relation. |
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