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Density functional theory gas- and solution-phase study of nucleophilic substitution at di- and trisulfides

✍ Scribed by Steven M. Bachrach; Joseph M. Hayes; Trang Dao; Justin L. Mynar


Book ID
105885450
Publisher
Springer
Year
2002
Tongue
English
Weight
115 KB
Volume
107
Category
Article
ISSN
1432-2234

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Gas-phase acidity of D-glucose. A densit
✍ Jean-Yves Salpin; Jeanine Tortajada πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 758 KB

## Abstract The gas‐phase acidity of D‐glucopyranose was studied by means of B3LYP calculations combined with 6–31G(d,p) or 6–31+G(d,p) standard basis sets. For each anomer, deprotonation of the various primary and secondary hydroxyl groups was considered. As in solution, the anomeric hydroxyl is f