一种新的拓扑指数与烷烃物性关联  

The Correlation between a New Topological Index and the Properties of Alkenes

作　　者：杨明泉[1] 

机构地区：[1]嘉兴学院医学院,浙江嘉兴314000

出　　处：《科技通报》2003年第6期494-496,共3页Bulletin of Science and Technology

摘　　要：基于距离矩阵和邻接矩阵定义了一种新的拓扑指数———nχda,与乙烷至壬烷的74个化合物的10种物性进行了关联,并与W、1χ、I指数进行了对比,除蒸发焓和溶解度外均以1χda为最优.A new topological index was defined according to the distance matrix and adjacent matrix. The indices of n χda ,W, 1 χ and I were respectively correlated with ten chemicalphysical properties of 74 alkenes from ethane to nonane. The results indicated that 1 χda is the best index except solubility and enthalpy of vaporization.

关 键 词：拓扑学 分子连接性指数 拓扑指数 分子结构 

分 类 号：O189[理学—数学] TQ038.1[理学—基础数学]