| 碳酸及碳酸酯热消除反应的量子化学研究 |
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| 引用本文： | 李银玲,洪三国,王甡.碳酸及碳酸酯热消除反应的量子化学研究[J].物理化学学报,1995,11(5):414-418. |
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| 作者姓名： | 李银玲 洪三国 王甡 |
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| 作者单位： | Department of Chemistry,Jiangxi Normal University,Nanchang 330027 |
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| 摘 要： | 用AM1方法研究了碳酸和碳酸酯的热消除反应．发现迁移基团R和基团R’共同制约这类吸热反应的活化能。
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| 关 键 词： | 热消除 过渡态 AM1方法 |
| 收稿时间： | 1994-06-24 |
| 修稿时间： | 1994-08-25 |
Quantum Chemical Study on the Thermal Eliminations of Carbonic Acid and its Esters |
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| Li Yinling, Hong Sanguo, Wang Shen.Quantum Chemical Study on the Thermal Eliminations of Carbonic Acid and its Esters[J].Acta Physico-Chimica Sinica,1995,11(5):414-418. |
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| Authors: | Li Yinling Hong Sanguo Wang Shen |
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| Institution: | Department of Chemistry,Jiangxi Normal University,Nanchang 330027 |
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| Abstract: | AM1 molecular orbital method has been used to studythe thermal elim inations of carbonic acid and its esters.The results obtained show that the activation energies of the dfthermal eliminations are determined by the group R'and the migrating group R. |
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| Keywords: | Thermal elimination Transition state AM1 method |
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