| 芳香族化合物若干性质的量子化学研究 |
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| 引用本文： | 王碧,冯英,李良超.芳香族化合物若干性质的量子化学研究[J].四川师范大学学报(自然科学版),1992(4). |
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| 作者姓名： | 王碧 冯英 李良超 |
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| 作者单位： | 内江师范专科学校 四川内江市641002
(王碧，冯英)，荆州教育学院 湖北荆州434100(李良超) |
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| 摘 要： | 本文用HMO 方法计算了几个苯的衍生物的电荷密度、自由价等结构信息,从半定量的角度解释了它们的定位效应和反应活性,同时讨论了芳香族化合物的氧化还原性,酸碱性与其结构的线性关系.
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| 关 键 词： | 休克尔分子轨道法(HMO 法) 最高占据分子轨道(HOMO) 最低空轨道(LUMO) 等共轭模型 闭壳层 |
STUDIES ON SEVERAL PROPERTIES OF THE AROMATICE IN QUANTUM CHEMISTRY |
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| Wang Bi Feng Ying.STUDIES ON SEVERAL PROPERTIES OF THE AROMATICE IN QUANTUM CHEMISTRY[J].Journal of Sichuan Normal University(Natural Science),1992(4). |
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| Authors: | Wang Bi Feng Ying |
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| Abstract: | Structural information of several derivatives of benxene,including charge density and free valence,is calculated by usingHMO method to explain their localized effect and reactive activity from semi-quantification as well as to discuss the linear rela-tionship between the structure of the aromatices and their properties of oxide-reduction and acid-base. |
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| Keywords: | HMO HOMO LUMO closed shell |
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