All electrons SCF-LCAO-MO computation for the barrier to internal rotation in allene is presented. The basis functions are contracted Gaussian orbitals. Theoretical results are discussed and related to available experimental data. In this work we report an all electron computation of the potential b
β¦ LIBER β¦
Barrier to internal rotation in N-methylpyrrolidone
β Scribed by McDermott, Dana P.; Strauss, Herbert L.
- Book ID
- 126116514
- Publisher
- American Chemical Society
- Year
- 1972
- Tongue
- English
- Weight
- 268 KB
- Volume
- 94
- Category
- Article
- ISSN
- 0002-7863
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