化学学报 ›› 1993, Vol. 51 ›› Issue (5): 463-469. 上一篇    下一篇

研究论文

一种新的拓扑指数用于饱和链烃类化合物的结构/性质相关性研究

姚瑜元;许禄;袁秀顺   

  1. 中国科学院长春应用化学研究所
  • 发布日期:1993-05-15

A new topological inder for research on structure-property relationships of alkanes

YAO YUYUAN;XU LU;YUAN XIUSHUN   

  • Published:1993-05-15

本文从距离矩阵出发, 结合分子中各原子的支化度, 产生一种新的拓扑指数Y~x, 并将它用于研究饱和链烃类化合物的理论性质, 获得了比较满意的结果。与其它已有的拓扑指数比较, 该指数具有良好的结构选择性和相关性。

关键词: 烷烃, 结构与性能关系, 矩阵, 拓扑指数

Based on distance matrix and branch vertex of atoms in a mol., a new topol. index (YX) has been developed to be used in research on phys. and chem. properties of alkanes. This index bears good structure selectivity and relativity when the results from index were compared with that of other ones.a

Key words: ALKANE, STRUCTURE AND PROPERTY CORRELATION, MATRICES

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