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Theoretical Studies of the Tautomeric Equilibria for Five-Member N-Heterocycles in the Gas Phase and in Solution

โœ Scribed by Nagy, Peter I.; Tejada, Frederick R.; Messer, William S.


Book ID
127284854
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
145 KB
Volume
109
Category
Article
ISSN
0022-3654

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Azaguanine: A Theoretical Study of Its T
โœ J.Guillermo Contreras; Sandra T. Madariaga ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 177 KB

The tautomerism and protonation of 8-azaguanine (azaG) have been studied by means of ab initio methods, both in the gas phase and in aqueous solution. An elimination procedure to choose the most stable tautomeric forms, based on AM1 and HF/6-31G\* energies, has been applied. Tautomers azaG(1,9), aza