| 含杂共轭分子的轨道与能级 |
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| 引用本文： | 王一飞.含杂共轭分子的轨道与能级[J].南京理工大学学报(自然科学版),1992(1). |
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| 作者姓名： | 王一飞 |
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| 作者单位： | 化工学院 |
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| 摘 要： | 将含杂共轭分子的轨道和能级问题归结为三种直链含杂共轭分子的本征值求解。为了获得解析结果,提出两种近似方法。在两组近似条件下,近似计算结果与直接精确数值解符合得很好。
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| 关 键 词： | 共轭分子 分子轨道 轨道能级 近似值法 |
Molecular Orbitals and Energy Levels of Heteronuclear Conjugated Molecules |
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| Wang Yifei Chemical Engineering School.Molecular Orbitals and Energy Levels of Heteronuclear Conjugated Molecules[J].Journal of Nanjing University of Science and Technology(Nature Science),1992(1). |
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| Authors: | Wang Yifei Chemical Engineering School |
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| Institution: | Wang Yifei Chemical Engineering School |
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| Abstract: | In this paper, it is proved that molecular orbitals and energylevels of all heteronuclei conjugated molecules Can be derived from those ofthree types of heteronuclei chain-conjugated molecules. Two approximationmethods are presented to give the solutions. The calculation results under twosets of conditions are in good agreement with those of exact calculations. |
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| Keywords: | conjugated molecule molecule orbitals orbital energy method of approximation |
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