碱和碱土金属卤化物标准熵的拓扑指数计算

Topological Index Calculation on Standard Entropies of Alkali and Alkali-earth Metal Halides

定义离子特征值iδ=ln[Mi/(ni.x2pi)×2/(Zi+1)],构建化合物拓扑指数mX=∑(iδ.jδ…)。对碱金属、碱土金属的标准熵和指数进行相关性分析,相关系数为0.9973、0.9982,优于文献值。

The ionic characteristic structrre parameter is defined as δi=ln[Mi/（ni·x2pi）×2/（Zi＋1）]topological indexes of compounds are set up as mX=∑（δi·δj…The correlation between the indexes of the alkali and alkali-earth metal halides and their standard entropies is discussed. Their correlation coefficients are 0.9973 and 0.9982, which are more ideal than those of the literatures.