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Identification of the Most Stable Guanine Tautomer for Hydroxylation Reaction Mechanism Studies using DFT calculationsBy Mamaru Bitew Alem
Abstract: Abstract: Identifying the most stable tatutomer for reaction mechanism studies is essential. For this reason, the present work was intended to explore the most stable and reactive guanine tautomer. To explore the most stable guanine tautomer a DFT/B3LYP method and level of theory were applied for electronic structure calculation and quantum mechanical description. Guanine was shown to exist in four different tautomeric forms (2AX 19 H, 2AX 17 H, 2AX …
Published in International Journal of Chemical Synthesis and Chemical Reactions · Vol. 4, Issue 1, 2018 · pp. 11–20 Read article →