The structures, energetics, spectroscopies, and isomerization of the doublet Si 2 PO radical are explored at various levels. At the UB3LYP/6-311+G(2df) level, a total of 12 minimum isomers and 15 interconversion transition states are located. Four cyclic isomers are found to be thermodynamically and
Theoretical study of potential energy surface and vibrational spectra of ArF2system
β Scribed by Minghui Yang; Daiqian Xie; Guosen Yan
- Publisher
- SP Science China Press
- Year
- 2000
- Tongue
- English
- Weight
- 262 KB
- Volume
- 43
- Category
- Article
- ISSN
- 1674-7291
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