AM1 study of proton-transfer reactions o
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Rita Kakkar; Vandana Katoch
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Article
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1999
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John Wiley and Sons
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English
β 205 KB
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