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Quantum chemical study on the thermal rearrangements of HNCRCR'CO

Quantum chemical study on the thermal rearrangements of HNCRCR'CO
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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'. 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'.
出处 《Chinese Journal of Chemistry》 SCIE CAS CSCD 1996年第2期105-108,共4页 中国化学(英文版)
基金 Project supported by the Natural Science Foundation of Jiangxi Province,China.
关键词 Thermal rearrangement MINDO/3 MO method transition state intrinsic reaction coordinate (IRC) Thermal rearrangement,MINDO/3 MO method,transition state,intrinsic reaction coordinate (IRC)
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