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Citation: Li Yin-Ling, Hong San-Guo, Wang Shen. Quantum Chemical Study on the Thermal Eliminations of Carbonic Acid and its Esters[J]. Acta Physico-Chimica Sinica, ;1995, 11(05): 414-418. doi: 10.3866/PKU.WHXB19950506 shu

Quantum Chemical Study on the Thermal Eliminations of Carbonic Acid and its Esters

1.
Department of Chemistry,Jiangxi Normal University,Nanchang 330027

Received Date: 24 June 1994
Available Online: 15 May 1995

AM1 molecular orbital method has been used to study the thermal eliminations of carbonic acid and its esters. The results obtained show that the activation energies of the thermal eliminations are determined by the group R’ and the migrating group R.
- Thermal elimination,
- Transition state,
- AM1 method
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