摘要
在分子图的距离矩阵、邻接矩阵以及原子核电荷数的基础上,基于朱昌中拓扑指数,提出了2个新的拓扑指数.这2个指数弥补了朱昌中指数不能应用于含杂原子分子体系的不足.通过对烷烃、烯烃、脂肪醇和脂肪醚4类物质结构与性质相关性的研究表明,新指数对各类物质均具有很好的结构选择性、性质相关性和普适性.
Based on the distant matrix, adjacent matrix and atomic nuclear charge, two new topological indexes has been derived through Zhu＇s topological index. These two indexes can be applied to non carbon systems which the Zhu^s topological index is not valid for. Through studies on relationship of the physical properties of alkane, alkene, fatty alcohol and fatty ether with their corresponding geomet- rical structures,it is demonstrated that the new indexes have a very good predictive ability for the four molecular series studied.
出处
《分子科学学报》
CAS
CSCD
北大核心
2013年第5期363-368,共6页
Journal of Molecular Science
基金
国家自然科学基金资助项目(21173020)
中央高校基本科研业务费专项资金资助项目(FRF-TP-12-114A)
关键词
拓扑指数
结构与性质
距离矩阵
邻接矩阵
topological index
structure and property
distant matrix
adjacent matrix
