摘要
维纳指数(WienerIndex,W)依定义为分子图中所有顶点间距和。本文研究了该拓扑量用来预测和估计各种不同有机分子的物化性质及分子间作用力,获得良好结果。
Wiener index(W). which is defined as the sum of the distance between all vertices in amolecular graph, was employed as a topological invariant quantity for estimation and predlction of various physicochemical properties and intermolecular forces. The theory and applications of Wiener index was briefly outlined. at first with emphasis on practice. Some new correlations were established, showing that Wiener index is a primary measure of intermolecularinteraction forces and molecular properties.
基金
国家自然科学基金
机构工业部专项基金
关键词
维纳指数W
分子图论
有机分子
物理化学性质
chemical topology
chemical graph theory
wiener index
intermolecular interaction forces
Molecular properties