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| 饱和链烃类化合物的物理化学性质的分子拓扑研究 | |
| 引用本文： | 张秀利,李杰红,陈惠兰,李伟.饱和链烃类化合物的物理化学性质的分子拓扑研究[J].化学学报,1999,57(1):12-16. |
| 作者姓名： | 张秀利 李杰红 陈惠兰 李伟 |
| 作者单位： | 1. 河北科技大学中校区基础课部,石家庄,050018 2. 河北师范大学东校区数学系,石家庄,050016 3. 河北科技大学图书馆,石家庄,050018 |
| 摘 要： | 从距离矩阵和原子的支化度出发，提出了一种新的拓扑指数，计算结果表明，它具有良好的结构选择性和性质相关性。 |
| 关 键 词： | 拓扑指数 饱和链烃类化合物 |
| 修稿时间： | 1997年12月25日 |
The Molecular Topological Research on Physical and Chemical Properties of Alkanes |
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| ZHANG Xiu-Li,LI Jie-hong,CHEN Hui-Lan,LI Wei.The Molecular Topological Research on Physical and Chemical Properties of Alkanes[J].Acta Chimica Sinica,1999,57(1):12-16. | |
| Authors: | ZHANG Xiu-Li LI Jie-hong CHEN Hui-Lan LI Wei |
| Abstract: | On the basis of distance matrix and branch vertex of atoms in a molecule, a new topological index has been developed for research on thirteen physical and chemical properties of alkanes. A general empirical equation is proposed as follows: P = A BZ1. Regression analyses have given the calculated results. It is concluded that the index bears good structure selectivity and property relativity, when the results from index were compared with those of other approaches. Furthermore, the index is easy to be calculated.topological index, alkanes, QSPR |
| Keywords: | QSPR |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ | |