| 角重叠模型在ML_n—型配合物的LCAO—MO法中的应用 |
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| 引用本文： | 易世煜. 角重叠模型在ML_n—型配合物的LCAO—MO法中的应用[J]. 湖北大学学报(自然科学版), 1990, 0(2) |
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| 作者姓名： | 易世煜 |
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| 作者单位： | 湖北大学化学系 |
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| 摘 要： | 本文证明了分子轨道中的系数C_i的关系式C_i=NF_(iλ),角重叠因子F_(iλ)代替群轨道中各配体的组合系数C_i,因此可根据角重叠因子直接写出群轨道。从角重叠模型的关系式ΔE=sum from i=1 to n sum from n=λ(e_λF~2_(iλ)),可确定轨道能级顺序。
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| 关 键 词： | 角重叠模型 群轨道 |
APPLICATION OF ANGULAR OVERLAP MODEL IN LCAO-MO METHODS FOR ML,-TYPE COORDINATION COMPOUNDS |
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| Yi Shiyu. APPLICATION OF ANGULAR OVERLAP MODEL IN LCAO-MO METHODS FOR ML,-TYPE COORDINATION COMPOUNDS[J]. Journal of Hubei University(Natural Science Edition), 1990, 0(2) |
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| Authors: | Yi Shiyu |
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| Affiliation: | Depatment of Chemistry |
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| Abstract: | In this paper,the writer has proved that the coefficient Ci of group orbital is related to the angular overlap factor, F with the relationship C, = NFa- Therefore,it is able to write the group orbitals direct ly by angular orerlap factors F. The orbital energy order can be determined using the expression AE -of the angular overlap model. |
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| Keywords: | Angular overlap model Group orbitals. |
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