## Abstract __Ab initio__ and INDO LCBO–MO calculations are carried out on glyoxal, 1,3‐butadiene, and acrolein in order to analyze the qualitative failure of INDO‐like methods to describe conformation energies in these molecules. Following the method of Brunck and Weinhold for ethanelike systems w
Bond-bond interactions. II. The barriers to internal rotation in saturated organic molecules
✍ Scribed by M. A. Basharov; M. V. Vol'kenshtein; I. B. Golovanov; V. M. Sobolev
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1984
- Tongue
- English
- Weight
- 368 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0022-4766
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