期刊文献+

利用维纳指数估计与预测分子性质与分子间力

Estimation and Prediction of Molecular Properties and Intermolecular Forces by Using the Useful Wiener Index
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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.
出处 《吉首大学学报》 1997年第1期15-21,共7页
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
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参考文献1

  • 1Bojan Mohar,Tonia? Pisanski. How to compute the Wiener index of a graph[J] 1988,Journal of Mathematical Chemistry(3):267~277

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