| 利用计算化学手段推进电子密度概念在有机化学反应中的应用 |
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| 引用本文： | 王果,郑晓霖,郑婷婷.利用计算化学手段推进电子密度概念在有机化学反应中的应用[J].首都师范大学学报(自然科学版),2011(Z1):50-52. |
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| 作者姓名： | 王果 郑晓霖 郑婷婷 |
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| 作者单位： | 首都师范大学化学系; |
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| 摘 要： | 针对有机化学的教学特点,结合现代化学的发展,基于计算化学相关理论强调了电子密度概念在有机化学基本反应中的重要性.通过处理计算化学程序的输出结果,得到了有机分子的轨道电子密度图,为有机化学的教学提供了有益的帮助.
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| 关 键 词： | 有机化学反应 电子密度 计算化学 |
Accelerating the Application of Electron Density Concept in Organic Reactions by Means of Computational Chemistry |
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| Wang Guo Zheng Xiaolin Zheng Tingting.Accelerating the Application of Electron Density Concept in Organic Reactions by Means of Computational Chemistry[J].Journal of Capital Normal University(Natural Science Edition),2011(Z1):50-52. |
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| Authors: | Wang Guo Zheng Xiaolin Zheng Tingting |
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| Institution: | Wang Guo Zheng Xiaolin Zheng Tingting(Department of Chemistry,Capital Normal University,Beijing 100048) |
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| Abstract: | With the developing of modern chemistry,the importance of electron density concept in basic organic reactions is emphasized based on computational chemistry theory,considering the characteristics of education in organic chemistry.By processing the output data of computational chemistry program,the orbital electron density map for organic molecule is obtained which benefits the education of organic chemistry. |
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| Keywords: | organic reaction electron density computational chemistry |
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