| 碱金属团簇M4(M=Na,K)稳定几何构型的HMO方法 |
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| 引用本文： | 黄荣谊,张少勇.碱金属团簇M4(M=Na,K)稳定几何构型的HMO方法[J].安庆师范学院学报(自然科学版),2004,10(2):85-87. |
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| 作者姓名： | 黄荣谊 张少勇 |
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| 作者单位： | 安庆师范学院,化学系,安徽,安庆,246011;安庆师范学院,化学系,安徽,安庆,246011 |
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| 基金项目： | 安徽省高校青年教师科研项目 |
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| 摘 要： | 利用HMO法对碱金属团簇M4(M=Na,K)的结构进行计算,从理论上对其应采取的稳定几何构型进行了推断,其定性结果与实验及其它更精确算法的结果基本一致。
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| 关 键 词： | 碱金属团簇 HM0法 休克尔能级 基态 |
| 文章编号： | 1007-4260(2004)02-0085-03 |
Theorestical Study on Stable Geometry Configuration of Alkali-metal Clusters :M4 (M = Na, K) by Huckel Molecular Orbital Method |
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| HUANG Rong-Yi,ZHANG Shao-Yong.Theorestical Study on Stable Geometry Configuration of Alkali-metal Clusters :M4 (M = Na, K) by Huckel Molecular Orbital Method[J].Journal of Anqing Teachers College(Natural Science Edition),2004,10(2):85-87. |
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| Authors: | HUANG Rong-Yi ZHANG Shao-Yong |
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| Abstract: | The structure of alkali-metal clusters:M4(M=Na,K)has been investigated based on the Huckel molecular orbital method calculation. The stable geometry configuration is inferred and this qualitative conclusion is in agreement with the experimental one and the result calculated other more sophisticated methods. |
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| Keywords: | alkali-metal cluster HMO theory (h(u··))ckel energy level ground-state |
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