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Ab initio studies of structural features not easily amenable to experiment: Part 6. Quantitative estimate of the effect of bond delocalization on structure and hyperconjugative interaction of the amide group

✍ Scribed by J.O. Williams; C. van Alsenoy; Lothar Schäfer

Book ID: 119115621
Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 458 KB
Volume: 76
Category: Article
ISSN: 0166-1280
DOI: 10.1016/0166-1280(81)85098-1

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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 4‐21G level. The results can be used as a basis to interpret some contradictory experimental reports found in the literature and to