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All possible H 9 -tautomers of 8-oxo-guanine and xanthine were studied by means of PM3 semiempirical and DFT (density functional theory) quantum chemistry methods. Additionally, the five most stable tautomers of both guanine derivatives were estimated on 3-21G, 6-31G, 6-31G ** and MP2 (6-31G ** ) ab initio levels. The impact of the environment polarity on the tautomeric...
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