| 不饱和烃的理化性质与分子拓扑指数的关系研究 |
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| 引用本文： | 倪才华,冯志云,李良超. 不饱和烃的理化性质与分子拓扑指数的关系研究[J]. 化学学报, 1998, 56(4): 359-363 |
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| 作者姓名： | 倪才华 冯志云 李良超 |
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| 作者单位： | 荆州师范高等专科学校化学系 |
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| 摘 要： | 定义并分别求算了不饱和烃(烯烃、炔烃、烷基苯)的价键连通性指数和价键信息拓扑指数, 将拓扑指数分别与这些物质的标准生成热、标准熵、标准生成自由能等一系列理化性质相关联, 用计算机回归方法确定了不同性质的最佳函数形式。回归的复相关系数和重新计算的误差结果显示拓扑指数与理化性质具有优良的相关性。
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| 关 键 词： | 炔烃 苯P 烯烃 理化性质 拓扑指数 |
| 修稿时间： | 1996-12-09 |
Studies on the physico-chemical properties of unsaturated hydrocarbons using topological indices |
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| Ni Cai-hua,FENG Zhi- Yun,LI Liang-chao. Studies on the physico-chemical properties of unsaturated hydrocarbons using topological indices[J]. Acta Chimica Sinica, 1998, 56(4): 359-363 |
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| Authors: | Ni Cai-hua FENG Zhi- Yun LI Liang-chao |
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| Abstract: | Some properties of unsaturated hydrocarbons have been investigated with topological methods in this study. Fifteen physico - chemical properties of alkenes, alkynes and alkyl benzenes are correlated with topological indices and a general empirical equation is proposed as follows: Pt = ANa BXbv CIcx D. Regression analyses have given the calculated results. It is found the fifteen physico - chemical properties of the unsaturated hydrocarbons have excellent correlativity with the topological indices. |
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| Keywords: | topological index physico-chemical property unsaturated hydrocarbon |
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