| Na+同羰基衍生物的弱相互作用 |
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| 引用本文： | 靳涛. Na+同羰基衍生物的弱相互作用[J]. 河北大学学报(自然科学版), 2004, 24(4): 382-388. DOI: 10.3969/j.issn.1000-1565.2004.04.012 |
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| 作者姓名： | 靳涛 |
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| 作者单位： | 山东科技大学,机械电子工程学院,山东,泰安,271019 |
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| 摘 要： | 通过量子化学计算,利用了密度泛函理论的方法,分析了钠离子同羰基衍生物的弱相互作用,利用B3PW91/6-311+G*寻找其稳定构型,总结钠离子同羰基衍生物的作用规律和电荷分布情况,以及羰基上的取代基对羰基的影响.
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| 关 键 词： | 弱相互作用 羰基衍生物 钠离子 |
| 文章编号： | 1000-1565(2004)04-0382-07 |
| 修稿时间： | 2003-11-09 |
Weak Interaction Between Na+ and Carbonyl Derivatives |
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| JIN Tao. Weak Interaction Between Na+ and Carbonyl Derivatives[J]. Journal of Hebei University (Natural Science Edition), 2004, 24(4): 382-388. DOI: 10.3969/j.issn.1000-1565.2004.04.012 |
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| Authors: | JIN Tao |
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| Abstract: | By quantum chemistry computation and with density functional theory(DFT),the weak interaction between Na~+ and carbonyl derivatives has been analyzed and the stable geometries have been searched.The interactional rule of Na~+ and carbonyl derivatives and the distribution of charge have been sunmarized.The effect of the replaced groups to carbonyl has also been analyzed. |
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| Keywords: | weak interaction carbonylderivatives Na~+ |
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