The effect of correlation energy, basis set size, zero-point energy (ZPE) correction, and solvation on the reaction mechanism of the ketene-imine cycloaddition reaction has been investigated. The electrostatic solvent effect was studied with a self-consistent reaction field method in which the solva
Comparative studies on the concerted and two-step mechanism of ketene-methylenimine cycloaddition
✍ Scribed by Fang De-Cai; Fu Xiao-Yuan
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 385 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0256-7660
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