Density functional theory and high-level ab initio calculations were carried out to investigate three unimolecular decomposition channels of furan. All equilibrium and transition state structures along the proposed decomposition channels are fully optimized by B3LYPr6-31G\*\* and characterized at th
Theoretical investigation of the decomposition of monofluoromethanol
β Scribed by Hou Hua; Guo Jing-Zhong; Liu Chuan-Pu; Gu Yue-Shu
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 318 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0256-7660
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