## Abstract The structures of four conformations of the methyl ester of glycine were determined by standard singleβdeterminant molecular orbital (MO) calculations using Pulay's force method and the 4β21G basis set. The most stable conformation of this compound has a symmetry plane which contains al
β¦ LIBER β¦
Ab initio studies of structural features not easily amenable to experiment. 12. The molecular structure of bicyclo(2.1.0)pentane and the usefulness of ab initio geometries in interpreting microwave rs-structure model uncertainties
β Scribed by Van Alsenoy, C.
- Book ID
- 120160063
- Publisher
- American Institute of Physics
- Year
- 1981
- Tongue
- English
- Weight
- 743 KB
- Volume
- 74
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.441019
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## Abstract The molecular structures of tricyclohexane, norbornane, quadricyclane, and cubane were completely refined by standard __ab initio__ force relaxation on the 4β21G level. The results can be used as a basis to interpret some contradictory experimental reports found in the literature and to