| 密度泛函理论下的电负性均衡及应用 |
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| 引用本文： | 赵东霞,宋雅茹. 密度泛函理论下的电负性均衡及应用[J]. 化学通报, 2000, 63(6): 14-20 |
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| 作者姓名： | 赵东霞 宋雅茹 |
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| 作者单位： | [1]辽宁师范大学化学系 [2]北京师范大学化学系 |
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| 基金项目： | 中国科学院资助项目，， |
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| 摘 要： | 以密度泛函理论为框架，综述电负性和电负性均衡理论的发展及其在探讨各种分子性质时的应用。
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| 关 键 词： | 密度泛函理论 电负性均衡 应用 量子化学计算 |
| 修稿时间： | 2000-02-28 |
Electronegativity Equalization and its Applications under the Framework of Density Functional Theory |
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| Zhao Dongxia,Song Yaru. Electronegativity Equalization and its Applications under the Framework of Density Functional Theory[J]. Chemistry, 2000, 63(6): 14-20 |
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| Authors: | Zhao Dongxia Song Yaru |
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| Abstract: | In the framework of density functional theory, the development of electronegativity, electronegativity equalization theory and their applications for exploring some molecular properties are overviewed. |
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| Keywords: | Density functional theory Electronegativity equalization theory Applications |
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