| Quantum chemical study on the thermal rearrangements of HNCRCR''''CO |
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| 引用本文： | LI,Yong-Hong HONG,San-GuoDepartment of Chemistry,Jiangxi Normal University,Nanchang,Jiangxi 330017,China. Quantum chemical study on the thermal rearrangements of HNCRCR''''CO[J]. 中国化学, 1996, 14(2): 105-108. DOI: 10.1002/cjoc.19960140203 |
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| 作者姓名： | LI Yong-Hong HONG San-GuoDepartment of Chemistry Jiangxi Normal University Nanchang Jiangxi 330017 China |
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| 作者单位： | LI，Yong-Hong HONG，San-GuoDepartment of Chemistry，Jiangxi Normal University，Nanchang，Jiangxi 330017，China |
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| 基金项目： | Project supported by the Natural Science Foundation of Jiangxi Province,China. |
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| 摘 要： | MINDO/3 molecular orbital theory has been used to study the thermal rearrangements of HNCRCR'CO.The results obtained show that the activation energy of this rearrangement depends on the migrating group R and the group R'.
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Quantum chemical study on the thermal rearrangements of HNCRCR''''CO |
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| LI,Yong-Hong HONG,San-Guo. Quantum chemical study on the thermal rearrangements of HNCRCR''''CO[J]. Chinese Journal of Chemistry, 1996, 14(2): 105-108. DOI: 10.1002/cjoc.19960140203 |
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| Authors: | LI Yong-Hong HONG San-Guo |
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| Affiliation: | LI,Yong-Hong HONG,San-GuoDepartment of Chemistry,Jiangxi Normal University,Nanchang,Jiangxi 330017,China |
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| Abstract: | MINDO/3 molecular orbital theory has been used to study the thermal rearrangements of HNCRCR'CO.The results obtained show that the activation energy of this rearrangement depends on the migrating group R and the group R'. |
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| Keywords: | Thermal rearrangement MINDO/3 MO method transition state intrinsic reaction coordinate (IRC) |
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