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An AB initio gradient study of the molecular geometry of some strained hydrocarbons containing annelated three-membered rings

✍ Scribed by Anik Peeters; C. Van Alsenoy; H.J. Geise


Book ID
113257457
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
507 KB
Volume
228
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES


Ab initio studies of structural features
✍ C. Van Alsenoy; J. N. Scarsdale; Lothar SchΓ€fer πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 671 KB

## Abstract The molecular structures of tricyclohexane, norbornane, quadricyclane, and cubane were completely refined by standard __ab initio__ force relaxation on the 4‐21G level. The results can be used as a basis to interpret some contradictory experimental reports found in the literature and to