| 共轭分子总能量的计算 |
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| 引用本文： | 张明春,王建刚.共轭分子总能量的计算[J].高等学校化学学报,1985,6(5):430. |
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| 作者姓名： | 张明春 王建刚 |
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| 作者单位： | 新乡师范学院化学系 |
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| 摘 要： | 由本征多项式直接求共轭分子π电子总能量已有很多报导。本工作在已知本征多项式基础上,根据多项式根与系数关系,导出计算π电子总能量关系式。这方面工作尚未见报导。我们用图论计数的办法给出简便计算共轭分子本征多项式的方法。
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| 收稿时间： | 1983-12-28 |
Calculation of Total π-Electronic Energy of Conjugated Molecules |
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| Zhang Mingchun,Wang Jiangann.Calculation of Total π-Electronic Energy of Conjugated Molecules[J].Chemical Research In Chinese Universities,1985,6(5):430. |
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| Authors: | Zhang Mingchun Wang Jiangann |
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| Institution: | Department of Chemistry, Xinxianq Normal College, Henan |
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| Abstract: | This paper reports on the new calculating method of the totalπ-electronic energy.From the relationship between the coefficients of characteristic polynomail and roots of polynomail, the authors have derived the formulae of total π-clectronic energy as following. |
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