| 由Pauling电负性估算原子部分电荷的新方法 |
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| 引用本文： | 许锁坤.由Pauling电负性估算原子部分电荷的新方法[J].河北师范大学学报(自然科学版),1993(4). |
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| 作者姓名： | 许锁坤 |
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| 作者单位： | 张家口师专化学系 |
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| 摘 要： | 对于任意分子A-B(A、B表示原子或基团),建立了一个由Pauling电负性估算原子部分电荷的新经验公式: ?? 式中X_A和X_B表示原子或基团的电负性. 计算了40多种化合物中原子的部分电荷,结果与文献值一致.
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| 关 键 词： | 电负性 部分电荷 原子 基团 |
A New Method of Estimating Partial Charge on the Atoms by Pauling Electronegativities |
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| Xu Suokun.A New Method of Estimating Partial Charge on the Atoms by Pauling Electronegativities[J].Journal of Hebei Normal University,1993(4). |
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| Authors: | Xu Suokun |
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| Abstract: | For an arbitrary molecule A-B(A and B represent atom or group),a new experiential formula was developed to estimate partial charge on the atoms by pauling electronegativities: ?? Where either of X_A and X_B is atom or group electronegativity.Partial charge on the atoms was calculated in more than 40 compouds.The calculated results agreed with the values obtained from literatures. |
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| Keywords: | electronegativity partial charge atom group |
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