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AM1 study of the protonation of pteridine-related tetraazanaphthalenes

✍ Scribed by Anguiano, Julio; Fernandez Sanz, Javier; Vilarrasa, Jaume


Book ID
126126010
Publisher
American Chemical Society
Year
1988
Tongue
English
Weight
526 KB
Volume
53
Category
Article
ISSN
0022-3263

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The AM1 method is used to study the mechanisms of intra-and intermolecular proton transfer in barbituric acid. In the vapor phase, of the three possibilities, although thermodynamic factors favor the migration of a methylene proton to a neighboring oxygen, kinetic effects favor proton transfers from