| 氮杂苯并噁唑分子设计及其电子结构研究 |
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| 引用本文： | 孙京国,冯玉玲.氮杂苯并噁唑分子设计及其电子结构研究[J].石家庄职业技术学院学报,2000(2). |
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| 作者姓名： | 孙京国 冯玉玲 |
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| 作者单位： | 河北师范大学化学系!河北石家庄050091 |
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| 摘 要： | 苯并噁唑是一类具有特殊光物理性质的分子，广泛用于有机激光染料。为寻找新的有效分子，在该类分子的实验和理论研究基础上，我们进行了一系列苯并噁唑类分子设计，并用ＰＰＰ方法对所设计的分子的电子结构等特性进行了较详细的研讨，从中选出了一些具有特殊性的 分子，这些分子有可能成为更优良的新型材料。
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| 关 键 词： | 分子设计 苯并噁唑 电子结构 |
On Molecular Desingn of Nitrogen Mixed Beta-nethylbenzoxazole and its Electronic Structure |
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| SUN Jing-guo,FENG Yu-ling.On Molecular Desingn of Nitrogen Mixed Beta-nethylbenzoxazole and its Electronic Structure[J].Journal of Shijiazhuang Vocational Technology Institute,2000(2). |
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| Authors: | SUN Jing-guo FENG Yu-ling |
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| Abstract: | Benzoxazoles are molecules with special electrical physics properties which are widely used as ac- tive components in orgaric dye lasers. Aiming at finding new available laser dyestuff molecules,a series of nitro- gen mixed beta-nethylbenzoxaxole molecules were designed based on the experiments and theoretical studies of beta-nethylbenzoxazole molecules. All the newly designed molecules are calculated with ppp method. Out of them some new materials with special properties are selected, which may become a new type of material with bet- ter qualities. |
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| Keywords: | molecule design benzoxazole electronic structure |
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