| 4种稠环芳烃荧光光谱的量子化学研究 |
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| 引用本文： | 王正国. 4种稠环芳烃荧光光谱的量子化学研究[J]. 凯里学院学报, 2004, 22(6): 18-20 |
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| 作者姓名： | 王正国 |
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| 作者单位： | 黔东南民族师范高等专科学校科研处,贵州,凯里,556000 |
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| 基金项目： | 校规划资助课题[2003Z001] |
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| 摘 要： | 采用量子化学半经验方法RHF／PM3对4种稠环芳烃物质的分子进行结构优化,采用RHF／CIS方法分别计 算了它们的荧光光谱,所得结果与实验基本符合.
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| 关 键 词： | 稠环芳烃 CIS方法 荧光光谱 |
| 文章编号： | 1002-6991(2004)06-0018-03 |
| 修稿时间： | 2004-10-15 |
Quantum chemistry study of fluorenscence spectra of four kinds of polycyclo - arene molecules |
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| WANG Zheng - guo. Quantum chemistry study of fluorenscence spectra of four kinds of polycyclo - arene molecules[J]. Journal of Southeast Guizhou National Teachers College, 2004, 22(6): 18-20 |
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| Authors: | WANG Zheng - guo |
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| Abstract: | The geometric contiguations of four kinds of polycyclo - arene molecules have been optimized by semiempirical RHF/PM3 of quantum chemistry. Their fluorescence spectra have been calculated by RHF/CIS methed.The resulty are fundamentally consisted with expermental values. |
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| Keywords: | poly cyclo-arene molecules fluorescence spectra CIS methed |
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