| 配位多面体的群重叠积分 |
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| 引用本文： | 赵明.配位多面体的群重叠积分[J].化学学报,1990,48(9):860-866. |
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| 作者姓名： | 赵明 |
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| 作者单位： | 湖南师范大学化学系 |
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| 摘 要： | 本文讨论了配位多面体的群重叠积分计算问题, 给出了这种群重叠积分的一般形式以及它们满足的一些关系, 用第一类点群将群重叠积分的计算化简, 由此定义了有关的几何参数并研究了它们的性质, 以正六面体为例说明了这些参数的具体计算。
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| 关 键 词： | 计算方法 配位多面体 重迭积分 |
Group overlap integrals on coordination polyhedra |
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| ZHAO MING.Group overlap integrals on coordination polyhedra[J].Acta Chimica Sinica,1990,48(9):860-866. |
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| Authors: | ZHAO MING |
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| Abstract: | The formulation of group overlap integrals in coordination polyhedra is discussed. The basic expressions and some sum relations of group overlap are given. The calculation is simplified on the basis of point group whose elements are pure rotations. Geometric factors related to group overlap integrals are defined and their properties are studied. A cube is used to explain the calculation of these geometric factors.t |
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| Keywords: | COMPUTATIONAL METHOD COORDINATION POLYHEDRA OVERLAP INTEGRALS |
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