| 价电子平均吸引能拓扑指数mP及其应用 |
| |
| 引用本文： | 徐士友,丁从文,杨君. 价电子平均吸引能拓扑指数mP及其应用[J]. 西安工程科技学院学报, 2004, 18(3): 269-273 |
| |
| 作者姓名： | 徐士友 丁从文 杨君 |
| |
| 作者单位： | [1]巢湖学院化学系,安徽巢湖238000 [2]河南师范大学化学院,河南新乡453002 |
| |
| 基金项目： | 安徽省教育厅自然科学研究资助项目(2003KJ277). |
| |
| 摘 要： | 构建了价电子平均吸引能拓扑指数^mP用6mP的0，1阶指数分别与16种碱金属卤化物的熔点m.P．、磁化率Xm，键长Bet以及20种碱金属卤化物的晶格能U、解离能ΔfHm、离子水化能ΔfGm^θ关联，拟合的回归方程的相关系(指)数分别为0．9433，-0．9854，-0．9933，0．9977(0．9979)，0．9775(0．9779)，0．9767(0．9792)，基本上满足优级或良级标准．结构选择性达到唯一性表征，预测取得较好的结果．
|
| 关 键 词： | 价电子平均吸引能 拓扑指数 相关性 离子水化能 晶格能 |
| 文章编号： | 1671-850X(2004)03-0269-05 |
| 修稿时间： | 2004-02-09 |
The average attracting energy topological index mP of valence electron and its application |
| |
| XU Shi-you,DING Cong-wen,YANG Jun. The average attracting energy topological index mP of valence electron and its application[J]. Journal of Xi an University of Engineering Science and Technology, 2004, 18(3): 269-273 |
| |
| Authors: | XU Shi-you DING Cong-wen YANG Jun |
| |
| Affiliation: | XU Shi-you~1,DING Cong-wen~2,YANG Jun~2 |
| |
| Abstract: | The average attracting energy topological index ~mP of valence electron was proposed. By correlation their zero and first order index ~mP with melting point, magnetic susceptibility,bond length of 16 kinds of alkali halides, and lattice energy,dissociation energy,ion hydrated energy of 20 kinds of alkali halides. Some (regression) equations were suggested. Their related coefficient(index) different is 0.943 3,-0.985 4,(-0.993 3),0.997 7(0.997 9),0.977 5(0.979 9) and 0.976 7(0.979 2). The structure selectivity achieves its own only expression. Hence the calculation gains better results. |
| |
| Keywords: | average attracting energy of valence electron topological index correlativity magnetic (susceptibility) lattice energy dissociation energy ion hydrated energy |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ |
