摘要
本文在距离矩阵和文化度矩阵的基础上增设了原子核外电子数平方根矩阵构成“增广矩阵”,将该矩阵的转置矩阵与其自身相乘产生一个方阵,利用此方阵所定义的拓扑指数计算了卤代烷烃的结构/性质相关性,取得了较满意的结果.
Based on distance matrix and branch vertex matrix .an enlarged matrix has been developed by adding square root of atonmic numbers. Good structure selectivity and relativity has been obtained when the topological indexes are used in predicting the physical property of halogenated alkanes.
出处
《郑州大学学报(自然科学版)》
CAS
1996年第1期84-87,共4页
Journal of Zhengzhou University (Natural Science)
关键词
拓扑指数
卤代烷烃
增广矩阵
结构-性质关系
topological indexes
halogenated alkanes
structure-property relationship