| 直链伯醇结构与熔点关系的拓扑化学研究 |
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| 引用本文： | 王克强.直链伯醇结构与熔点关系的拓扑化学研究[J].信阳师范学院学报(自然科学版),1995,8(2):180-183. |
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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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| 基金项目： | 河南省优秀中青年骨干教师基金 |
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| 摘 要： | 用拓扑方法探讨了直链伯醇的熔点与分子结构的关系，提出一个结构基础明确的定关系式。对甲醇到１－三十四烷醇的计算结果表明，计算值与实验值的一致性令人满意。应用这一定量关系，不仅能够合理表征直链全醇的结构性能关系，而且有助有助于揭示物质结构与性能关系这间的奥秘。．
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| 关 键 词： | 结构性能关系 熔点 伯醇 分子拓扑学 分子结构 |
Studies on theRelationshipBetWeenMelting Points of Normal PrimaryAlcohol and Its Molecular Structure by Using thetopology Chemistry |
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| Wang Keqiang.Studies on theRelationshipBetWeenMelting Points of Normal PrimaryAlcohol and Its Molecular Structure by Using thetopology Chemistry[J].Journal of Xinyang Teachers College(Natural Science Edition),1995,8(2):180-183. |
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| Authors: | Wang Keqiang |
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| Abstract: | An approach based on the molecular topology was used to study the relation-ship between melting points o f normal primary alcohols and its molecular structure for thefirst time in this paper,and aquantitative relation was developed which can be used to pre-dict the melting points and to characterize the structure-property relationship of normal pri-mary alcohols. The results calculated showed that the predicted melting points agreed withthe experimental melting points satisfactorily,and the mean relative deviation was only0. 298%for 28 kinds of normal primary alcohols.Not only can the quantitative relation pre-dict the melting points of normal primary alcohols but can help to discover the secret amongthe structure-property relationship. |
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| Keywords: | Structure-property relationship Topological index Quantitative rela-tion Melting point Normal primary alcohol |
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