| 轨道平均能拓扑指数mM及其应用 |
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| 引用本文： | 徐士友. 轨道平均能拓扑指数mM及其应用[J]. 巢湖学院学报, 2005, 7(3): 96-99 |
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| 作者姓名： | 徐士友 |
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| 作者单位： | 巢湖学院化学系,安徽,巢湖,238000 |
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| 摘 要： | 构建了拓扑指数mM.用mM的0、1阶指数分别与碱金属卤化物晶格能U、生成热△rHm和离子水化能△rG8m关联,拟合的回归方程的相关系数(复相关系数)分别为0.9972(0.9975)、0.9808(0.9808)、0.9808(0.9858),满足优级或良级标准.预测取得较好的结果.
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| 关 键 词： | 价电子轨道平均能量 拓扑指数 晶格能 生成热 离子水化能 轨道 拓扑指数 应用 application energy average orbit 结果 预测 标准 复相关系数 回归方程 拟合 关联 离子水化能 生成热 晶格能 碱金属卤化物 |
| 文章编号： | 1672-2868(2005)03-0096-04 |
| 修稿时间： | 2005-01-06 |
The topological index of orbit average energy mM and its application |
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| Xu Shiyou. The topological index of orbit average energy mM and its application[J]. Chaohu College Journal, 2005, 7(3): 96-99 |
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| Authors: | Xu Shiyou |
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| Abstract: | In this paper the topological index mM of average energy of valence electron orbit was proposed. Using their 0 and 1 index with lattice energy , enthalpy of formation, hydrated energy of 20 kinds of alkali halides, some regression equations were suggested. Their related coefficient (re-related coefficient) different is 0.9972 (0.9975) ,0.9808 (0.9808) and 0. 9808 (0.9858) . meet the good and excellent standards. Hence the calculation gains better results. |
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| Keywords: | average energy of valence electron orbit topological index lattice energy enthalpy of formation ion hydrated energy |
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