The potential functions for the rotation about the essential single bonds in some conjugated compowds as nitrobenzene, nitrosobwwene, benzoic acid, benzamide, acrolein, furfural and phenol have been calculated using the NDDO formalism. Contrary to the known results of the &DOf2 method, the preferred
โฆ LIBER โฆ
The inapplicability of the MINDO/3 method to the conformational analysis of conjugated systems
โ Scribed by Helena Dodziuk
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 338 KB
- Volume
- 55
- Category
- Article
- ISSN
- 0022-2860
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