| 价轨道能量差连接性指数m~F与无机氢化物pKa_1的关系 |
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| 引用本文： | 徐士友,王敏.价轨道能量差连接性指数m~F与无机氢化物pKa_1的关系[J].阜阳师范学院学报(自然科学版),2002,19(1):23-25. |
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| 作者姓名： | 徐士友 王敏 |
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| 作者单位： | 巢湖师范专科学校化学系,巢湖,238000 |
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| 摘 要： | 该文运用徐光宪院士的 E_i=n_i+0.4L 公式,对 Randic 分子连接性拓扑指数 ~mX 的核心概念“点价”δ_i进行改造,构建了一种新的价轨道能量差连接性指数~mF,用其0,1阶指数~0F、~1F 与 p 区无机氢化物的 pKa_1,值关联,拟合成2个线性方程。其相关系数与相关指数分别为0.9934与0.9940,拓扑指数的结构选择性满足唯一性表征,预测取得了较好的结果。
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| 关 键 词： | 无机氢化物 pKa_1 价轨道能量 拓扑指数 相关性 |
| 文章编号： | 1004-4329(2002)01-0023-03 |
| 修稿时间： | 2001年11月5日 |
The Relation between Coupling Index mF of Valence Orbital Energy Difference and pKa1 of Inorganic Hydride |
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| Xu Shiyou,Wang Min.The Relation between Coupling Index mF of Valence Orbital Energy Difference and pKa1 of Inorganic Hydride[J].Journal of Fuyang Teachers College:Natural Science,2002,19(1):23-25. |
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| Authors: | Xu Shiyou Wang Min |
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| Abstract: | Based on the formula E_i=n_i+0.4L set by Academician Xu Guangxian,the paper makes a further exploration of“point valenc”which is the kernel concept of ~mX as Randic molecule coupling topo- logical index,thus building up a new coupling index of valence orbital energy difference.In the light of the relevance of zero and one index number ~0F,~1F to region of P inorganic hydride pKa_1,two linear equations are formulated,whose coefficient and index concerned are 0.9934 and 0.9940 respectively.The structural selection of topological index proves unique,thus yielding a satisfactory result. |
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| Keywords: | Inorganic hydride pKa_1 Energy level Topological index number Coherency |
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