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Ab Initio and NMR Study of Peroxynitrite and Peroxynitrous Acid: Important Biological Oxidants

โœ Scribed by Tsai, Hui-Hsu; Hamilton, Tracy P.; Tsai, Jyh-Hsin M.; van der Woerd, Mark; Harrison, Joseph G.; Jablonsky, Michael J.; Beckman, Joseph S.; Koppenol, Willem H.


Book ID
111641783
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
851 KB
Volume
100
Category
Article
ISSN
0022-3654

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Ab initio study of ascorbic acid conform
โœ Mohammad A. Al-Laham; G. A. Petersson; Paul Haake ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 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