| 直链1-溴烷烃结构与密度关系的拓扑化学研究 |
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| 引用本文： | 王克强. 直链1-溴烷烃结构与密度关系的拓扑化学研究[J]. 怀化学院学报, 1995, 0(5) |
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| 作者姓名： | 王克强 |
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| 作者单位： | 洛阳师专化学系 |
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| 摘 要： | 根据分子拓扑学原理,用拓扑方法探讨了直链1-溴烷烃的密度与其分子结构之间的关系,提出一个结构基础明确的定量关系。应用这一定量关系,不仅能够合理表征直链1-溴烷烃结构与密度的关系,而且能够预测密度。结果表明,密度预测值都很接近实验值,平均误差0.053％。
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| 关 键 词： | 结构性能关系 拓扑指数 定量关系 分子结构 密度 直链1-溴烷烃 |
Quantitative Study on the Relationship Between Density of Normal 1-Bromoalkane and Its Molecular Structure |
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| Wang Keqiang. Quantitative Study on the Relationship Between Density of Normal 1-Bromoalkane and Its Molecular Structure[J]. Journal of Huaihua University, 1995, 0(5) |
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| Authors: | Wang Keqiang |
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| Abstract: | An approach based on the molecular topology is used to study the relationship between density of normal 1 -bromoalkane and its molecular structure, and a quantitative relation is developed which can be used to characterize the structure -property relationship and to predict the densities of liquid normal 1 -brotnoalkanes at 293K. The results calculated show that the predicted values of densities are in good agreement with the experimental data, and the mean relative deviation is 0. 053%, the mean absolute deviation is 0.00058 (M,a.m-3. Not only can the quantitative relation predict the densities of normal 1 -bromoalkane but can help to discover the secret among the structure -property relationship of matter. |
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| Keywords: | Structure-property relationship topological index quantitative relation molecular struc- ture density normal 1 - bromoalivite |
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