Article ID Journal Published Year Pages File Type
5394764 Computational and Theoretical Chemistry 2012 7 Pages PDF
Abstract
► Mechanisms of the intramolecular proton transfers of 2-thioxanthine were proposed. ► Sixteen reaction paths are found within the imidazole and the pyrimidine rings. ► Necessary energy barriers were reported for different products. ► Four enol-thiols species are found to be able to co-exist in the gas phase.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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