Ab initio study of ascorbic acid conform
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Mohammad A. Al-Laham; G. A. Petersson; Paul Haake
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Article
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1991
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John Wiley and Sons
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English
β 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