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Ab initio molecular orbital calculation on the rotational isomerism of 1,2-dichloroethane and 1-chloropropane

✍ Scribed by Chizuko Tanaka; Jiro Tanaka; Kimihiko Hirao


Book ID
107802748
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
967 KB
Volume
146
Category
Article
ISSN
0022-2860

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Ab initio and semi-empirical molecular o
✍ Gary L. Grunewald; Ibrahim M. Uwaydah; Ralph E. Christoffersen; Dale Spangler πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 French βš– 235 KB

Since its synthesis by Vogel et al., 4 1,6loethano[lO]annulene has been subjected to extensive Investigation to explore Its reactivity and aronaticity. We report here the results of a.b initti, CNDO/Z, and INDO molecular orbital (MO) calculations on this molecule.