摘要
受Randic分子连接性拓扑指数mX的启发,构建了一种新的分子连接性拓扑指数mD.用mD的0,1阶指数0D,1D与P区无机氢化物的pKa1值关联,拟合成2个线性方程,其相关系数与相关指数分别为0.9953和0.9955,拓扑指数的结构选择性满足唯一性表征.预测取得了较好的结果.
Entightened by the topological index of the Randic moleoular connection, new molecular connection topological index mD is developed.Utilizing the link between its 0D and 1D and P area pKa1 of inorganic hydride, 2 linear equations are suggested,the related coefficient and related index different is 0.995 3 and 0.995 5.The structure selectivity of topological index achieves its own only expression.Hence the calculation gains sutisfactory results.
出处
《西安工程科技学院学报》
2003年第3期277-280,共4页
Journal of Xi an University of Engineering Science and Technology
基金
安徽省教育厅自然科学研究资助项目(2003KJ277)
