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
โฆ LIBER โฆ
The unimolecular isomerization of methyl isocyanide to methyl cyanide (acetonitrile)
โ Scribed by Redmon, Lynn T.; Purvis, George D.; Bartlett, Rodney J.
- Book ID
- 121079719
- Publisher
- American Institute of Physics
- Year
- 1978
- Tongue
- English
- Weight
- 765 KB
- Volume
- 69
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.436568
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