| 利用维纳指数估计与预测分子性质与分子间力 |
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| 引用本文： | 袁晓燕,康继军,黄莺,李志良.利用维纳指数估计与预测分子性质与分子间力[J].吉首大学学报(自然科学版),1997(1). |
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| 作者姓名： | 袁晓燕 康继军 黄莺 李志良 |
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| 作者单位： | 长沙大学化学系!长沙，410000，湖南大学化学化工系!长沙，410082，湖南中医学院药学分院!长沙，410004，湖南大学化学化工系!长沙，410082 |
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| 基金项目： | 国家自然科学基金，机构工业部专项基金 |
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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。
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| 关 键 词： | 维纳指数W 拓朴学 分子图论 物化性质 |
Estimation and Prediction of Molecular Properties and Intermolecular Forces by Using the Useful Wiener Index |
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| Yuan Xiaoyan, Kang Jijun, Huang Ying, Li Zhiliang.Estimation and Prediction of Molecular Properties and Intermolecular Forces by Using the Useful Wiener Index[J].Journal of Jishou University(Natural Science Edition),1997(1). |
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| Authors: | Yuan Xiaoyan Kang Jijun Huang Ying Li Zhiliang |
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| Abstract: | 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. |
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| Keywords: | chemical topology chemical graph theory wiener index intermolecular interaction forces Molecular properties |
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