摘要
基于Wiener指数(W),构建距离拓扑指数(T).T与30个醇异构体在PEG-1500,PEG-20M,OV-101等3种不同固定相上的气相色谱保留指数(RI)进行关联,其相关系数分别为0.9992,0.9983,0.9988,计算值与实验值能很好地吻合.T是一种结构选择性和性质相关性俱佳的拓扑指数.
Based on the Wiener index（W） ,a distance topological index（T） is proposed. T has high correlativity with the gas chromatographic retention indices of 30 alcohols isomers on three stationary phases（PEG-1500, PEG-20M and OV-101）. Their correlation coefficients are 0. 999 2, 0. 998 3,0. 998 8 respectively. The calculated values are in good agreement with the experimental data. T is a new molecular topological index which has good structure selectivity and high property-correlativity.
出处
《徐州师范大学学报（自然科学版）》
CAS
2009年第2期88-90,共3页
Journal of Xuzhou Normal University(Natural Science Edition)
基金
江苏省高校自然科学基金资助项目(05KJD150221)
