Minimal basis se: SCF calculations have been carried out on 2-furancarboxaldehyde (furfural). The internal-rotation equilibrium in the vapour phase and in various solvents has been investigated with a satisfactory agreement with the experimental results.
✦ LIBER ✦
Ab initio study of internal rotation in 2-pyridincarboxaldehyde
✍ Scribed by Y.G. Smeyers; A. Hernández-Laguna; M.J. Martín-Delgado; M.J. Macedo; M.I. Suero
- Book ID
- 113256982
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 498 KB
- Volume
- 210
- Category
- Article
- ISSN
- 0166-1280
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