Rodolfo Acevedo-Chávez

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The chemical and physicochemical properties of the purine isomer allopurinol have been subject of study from experimental and theoretical points of view. In this paper, the density functional theory study of allopurinol 1ϩ was carried out. Full geometry optimization and energy calculations for the 16 possible tautomers were performed. The sequence of the(More)
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