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Stability, Tautomerism and Acidity of Xanthine by the Density Functional Theory (DFT)

This work is a contribution of theoretical chemistry to the knowledge of xanthine's properties. Its aim first consists in checking the chemistry's results related to the exploitation of semi-empirical methods, it provides theoretical data on the acidity of xanthine tautomers. To do this, the DFT method with the B3LYP functional, associated with the 6-311 G (d, p) basis set was used.

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