DFT/PCM, QTAIM, 1H NMR conformational studies and QSAR modeling of thirty-two anti-Leishmania amazonensis Morita–Baylis–Hillman Adducts von Filho, Edilson B.A., Moraes, Ingrid A., Weber, Karen C., Rocha, Gerd B., Vasconcellos, Mário L.A.A.

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Correlation between electrochemical and theoretical studies on the leishmanicidal activity of twelve Morita-Baylis-Hillman adducts von Paiva, Yen G. de, Souza, Antônio A. de, Lima-Junior, Claudio G., Silva, Fábio P. L., A. Filho, Edilson B., Vasconcelos, Camila C. de, Abreu, Fabiane C. de, Goulart, Marília O. F., Vasconcellos, Mário L. A. A.

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Uncommon hydrogen bonds between a non-classical ethyl cation and π hydrocarbons: a preliminary study von Oliveira, Boaz G., Vasconcellos, Mário L. A. A., Olinda, Rodrigo R., Filho, Edilson B. A.

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