| 应用基团键贡献法计算烯烃的密度 |
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| 引用本文： | 王克强 孙献忠. 应用基团键贡献法计算烯烃的密度[J]. 青海大学学报, 2000, 18(4): 25-28 |
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| 作者姓名： | 王克强 孙献忠 |
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| 作者单位： | 洛阳师范学院化学系!河南洛阳471022 |
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| 摘 要： | 根据分子中基团的特性和连接性，将基团贡献法和拓扑方法结合在一起，成为一种计算烯烃密度的新方法－基团键贡献法。该方法具有基团贡献法适用范围广和拓扑方法计算结果准确可靠的特点。对２１８种烯烃（包括单烯烃和二烯烃）密度的计算表明，计算值与实验值相一致。
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| 关 键 词： | 结构性能关系 分子结构 基团键贡献法 密度 烯烃 |
Calculating the Density of Alkene Using the Group Bond Contributon Method |
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| Wang Kepiang Sun Xianzhong. Calculating the Density of Alkene Using the Group Bond Contributon Method[J]. Journal of Qinghai University(Natural Science), 2000, 18(4): 25-28 |
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| Authors: | Wang Kepiang Sun Xianzhong |
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| Abstract: | Based on characteristics and connectivity of the groups in molecules,the group contribution method and topological method was combined together,a new method was developed which can be used to calculate the density of alkene (including monoalkene and alkdiene)from molecular structure.The calculated results showed that the calculated density of alkene were in good agreement with the experimental data,and the mean relative deviation was 0 70% for 218alkenes,and had advantages over the group contribution method. |
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| Keywords: | structure property relationship molecular structure group bond group bond contribution method density aldene |
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