引用本文:
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.
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.
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.
Quantum Chemical Study on the Thermolysis of Dicyanofuroxan
摘要:
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.
-
关键词:
- transition state
- / thermolysis
- / dicyanofuroxan
- / AM1 method
- / PM3 method
English
Quantum Chemical Study on the Thermolysis of Dicyanofuroxan
Abstract:
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.
-
Key words:
- transition state
- / thermolysis
- / dicyanofuroxan
- / AM1 method
- / PM3 method
扫一扫看文章
计量
- PDF下载量: 3
- 文章访问数: 1633
- HTML全文浏览量: 70
下载:
