Citation: Yong Hong LI, Wen Yuan XU, Yi Yuan PENG, San Guo HONG, Sheng WANG. Quantum Chemical Study on the Thermolysis of Dicyanofuroxan[J]. Chinese Chemical Letters, ;1998, 9(2): 187-189. shu

Quantum Chemical Study on the Thermolysis of Dicyanofuroxan

Department of Chemistry, Jiangxi Normal University, Nanchang 330027

Received Date: 12 May 1997

AM1 and PM3 methods using the unrestricted Hartree-Fock (UHF) calculations have been applied to study the thermolysis of dicyanofuroxan. The results obtained show that the reaction proceeds to product through a two-step pathway where the second one is the rate-determining step.
- transition state,
- thermolysis,
- dicyanofuroxan,
- AM1 method,
- PM3 method
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