Ab initio (STO-3G) geometry-optimized calctdations have been performed on methyl and trifluoromethyl cyanide and isocyanide, and energies of isomerization of 24.1 and 11.5 kcal/mole, respectively have been calculated. Activation barriers of 87.8 and 80.0 kwl/mole are predicted for the isomerization
β¦ LIBER β¦
A theoretical study of the isomerization process in tris(2-thienyl)methyl radical
β Scribed by Fernardo Bernardi; Maurizio Guerra; Gian F. Pedulli; Kurt Mislow
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- French
- Weight
- 209 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0040-4020
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