| 用分子对称性求取分子轨道 |
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| 引用本文： | 张子付,刘国范.用分子对称性求取分子轨道[J].辽宁大学学报(自然科学版),1990,17(2):39-43. |
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| 作者姓名： | 张子付 刘国范 |
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| 作者单位： | 辽宁大学化学系，辽宁大学化学系，辽宁大学化学系 |
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| 摘 要： | 应用分子对称性求得分子轨道,是根据分子反映面对称性质,建立了三个规则。依据对称面性质,将高阶本征行列式约化为低阶本征行列式,因此容易计算。根据这三个规则,对于具有垂直对称面的链型、环型、稠环型和混合型共轭分子,我们都得到了满意的结果。
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| 关 键 词： | 分子轨道 分子 对称性 对称面 |
Obtain Molecular Orbitals by Molecular Symmetry |
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| Zhang Zifu Liu Guofan Guo Jinbo.Obtain Molecular Orbitals by Molecular Symmetry[J].Journal of Liaoning University(Natural Sciences Edition),1990,17(2):39-43. |
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| Authors: | Zhang Zifu Liu Guofan Guo Jinbo |
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| Affiliation: | Zhang Zifu Liu Guofan Guo Jinbo Department of Chemistry,Liaoning University |
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| Abstract: | We obtain molecular orbitals by molecular symmetry. On the basis of symmetrical propety of molceular mirror plane,We found three rules. According to symmetric plane property,We may reduce high eigen determinant to low eigen determinants.Therefore easy for calculation. According to these three rules, We obtined satisfactory result for all chain, ring,thick-ring and mix type conjngate molecule possessing vertical symmetrical plane. |
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| Keywords: | Molecular Symmetry Symmetrical plane |
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