| 簇化合物分子拓扑图的表达及其在簇数据库中的应用 |
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| 引用本文： | 郑安,陈其铣.簇化合物分子拓扑图的表达及其在簇数据库中的应用[J].结构化学,1991(4). |
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| 作者姓名： | 郑安 陈其铣 |
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| 作者单位： | 中国科学院福建物质结构研究所，中国科学院福建物质结构研究所 福州 350002，福州 350002 |
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| 摘 要： | 本文以化合物结构的拓扑性质为基本出发点,讨论了一种便于计算机处理的分子簇骼低维度表示法,并用结点环境计量比较法,来实现全结构或子结构的检索。
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The Representation of Topological Graphs for Cluster Compounds and its Application on the Database of the Compounds |
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| Abstract: | In the light of the topological characterization of molecular structures a low - dimentional representation for the molecular skeleton of cluster compounds, convenient for treatment by computers , is described, and brought up a new way of structural searching by which the atomic number sums of each element around, each vertex of the skeleton are taken as comparative criteria of searching either for the whole molecule or the fragments. |
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