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Ab initio study of the conformations of the cyclohexyl and 1-hydroxycyclohexyl radicals

✍ Scribed by Lloyd, Roger V.; Causey, J. Guy; Momany, Frank A.


Book ID
126964004
Publisher
American Chemical Society
Year
1980
Tongue
English
Weight
475 KB
Volume
102
Category
Article
ISSN
0002-7863

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Ab initio study of ascorbic acid conform
✍ Mohammad A. Al-Laham; G. A. Petersson; Paul Haake πŸ“‚ Article πŸ“… 1991 πŸ› John Wiley and Sons 🌐 English βš– 569 KB

The STOSG optimized structures of nine different staggered conformers of ascorbic acid are presented. The largest energy difference between the nine local minima is 5.1 kcal/mol. Comparison of the relative energies of the fully optimized structures of ascorbic acid conformers with those of nonoptimi