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The energetics of ions, atoms, and salts: Sodium and its chloride

โœ Scribed by Joel F. Liebman; Deborah Van Vechten; Arne Haaland


Book ID
105524919
Publisher
Springer
Year
1994
Tongue
English
Weight
245 KB
Volume
5
Category
Article
ISSN
1040-0400

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โœ S. Bouchonnet; Y. Hoppilliard ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 594 KB

The energies of protonation and Na' cationization of glycine (GLY) and its (GLY -H + Na) salt in the gas phase were calculated using ab initio calculations. The proton affinity of GLY, valued at the MP2/6-31G\*//3-21G level, is 937 kJ mol-'. The amino function is confirmed to be the most favourable