| 电负性与原子价层轨道能 |
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| 引用本文： | 喻典.电负性与原子价层轨道能[J].化学通报,2005,68(7):555-557. |
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| 作者姓名： | 喻典 |
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| 作者单位： | 重庆师范大学化学学院,重庆400047 |
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| 基金项目： | 重庆市教委科学技术研究项目(040806) |
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| 摘 要： | 用密度泛函理论论证了原子价层轨道能与元素电负性之间的密切关系，说明如何用原子价层轨道能对元素电负性的概念进行解释，从而使周期表中元素电负性更容易被理解和计算。
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| 关 键 词： | 元素电负性 原子价层轨道能 密度泛函理论 量子力学 |
Electronegativities and Energy of Valence Orbits of Atom |
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| Yu,Dian.Electronegativities and Energy of Valence Orbits of Atom[J].Chemistry,2005,68(7):555-557. |
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| Authors: | Yu Dian |
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| Abstract: | DA close relationship between energy of valence orbit of atom and electronegativity is demonstrated by density functional theory. It is shown how the electronegativities for every element can be derived from energy of valence orbit of atom. This leads to a new set of electronegativities for every element in the periodic table that can be easily calculated and understood. |
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| Keywords: | Electronegativity Energy of valence orbits of atom Density functional theory |
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