| 卤取代对三氮系1-3H原子转移互变异构影响的理论研究 |
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| 引用本文： | 叶松.卤取代对三氮系1-3H原子转移互变异构影响的理论研究[J].高等学校化学学报,2002,23(1):113-115. |
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| 作者姓名： | 叶松 |
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| 作者单位： | 云南大学生物化学学院化学系, 昆明 650091 |
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| 基金项目： | 云南省科委应用基础研究 (批准号 :B0 0 0 6 M)资助 |
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| 摘 要： | 用量子化学从头计算方法研究了卤取代对三氮系1-3H原子转移互变异构的影响,探讨卤取代对降低反应活化能和稳定N＝N双键的电子效应.对反应机理作出解释.
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| 关 键 词： | 卤取代 1-3H原子转移互变异构 从头算 |
| 文章编号： | 0251-0790(2002)01-0113-03 |
| 收稿时间： | 2000-09-08 |
Theoretical Study on the Tautomerism of 1-3H Atom Transformation Reactions at the 3N System Substituted by Halogen |
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| YE Song .Theoretical Study on the Tautomerism of 1-3H Atom Transformation Reactions at the 3N System Substituted by Halogen[J].Chemical Research In Chinese Universities,2002,23(1):113-115. |
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| Authors: | YE Song |
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| Institution: | Department of Chemistry, College of Biological Chemistry, Yunnan University, Kunming 650091, China |
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| Abstract: | Ab initio method has been used to study the reaction of 1 3H atom transformation reactions at the 3N system substituted by halogen. The calculation results have shown that the active energy of tautomerism and stability of NN affectted by the substituted halogen. |
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| Keywords: | Substituted by halogen 1 3H atom transformation reaction Ab initio |
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