摘要
从距离矩阵出发,结合矩阵的数学运算,定义了一种新的拓扑指数Sz,并建立了拓扑指数与分子热力学性质关系的经验公式,计算了烷基苯48个分子热力学性质,并与文献值进行了比较,获得了比较理想的结果.
Based on the distance matrix, a new topological index is defined, and some empirical equations which are used to correlate thermodynamic＇properties with molecular Sz index of alkyl benzenes are proposed in this work. The results of calculation show that the topological indices are correlated with the thermodynamic properties.
出处
《西南民族大学学报（自然科学版）》
CAS
2008年第2期333-336,共4页
Journal of Southwest Minzu University(Natural Science Edition)
关键词
烷基苯
拓扑指数
热力学性质
alkyl benzene
topological index
thermodynamic property
