Browsing Exact and Earth Sciences by Author "Castanho, Gabriel de Oliveira"
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Computational study of electronic effects from β-substituents on the tautomerism of naphthazarin derivatives
Grasel, Fábio dos Santos; Castanho, Gabriel de Oliveira; Fontoura, Luiz Antonio Mazzini; Netz, Paulo Augusto (2017) [Journal article]In this work, semi-empirical AM1 and DFT B3LYP/6-31G** calculations were applied in the study of the interconversion among tautomers of several naphthazarin and 5-amino-8-hydroxy-1,4-naphthoquinone β-substituted derivatives ...