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Issue DateTitleAuthor(s)
Dec-2017Theoretical Study on the Conformational Bioeffect of the Fluorination of AcetylcholineSilla, Josué M.; Silva, Daniela R.; Freitas, Matheus P.
Dec-2017DFT study on the complexation of anions with 1,4,7,10,13,16-hexaazacyclooctodeca-2,5,8,11,14,17-hexaeneAndrade, Laize A. F.; Silla, Josué M.; Mendonça, João Guilherme P.; Freitas, Matheus P.
8-Nov-2017Theoretical study on the anomeric effect in α-substituted tetrahydropyrans and piperidinesMartins, Francisco A.; Silla, Josué M.; Freitas, Matheus P.
24-Aug-2017Conformational impact of structural modifications in 2-fluorocyclohexanoneMartins, Francisco A.; Silla, Josué M.; Freitas, Matheus P.
2017Infrared Fingerprints of nN → σ*NH Hyperconjugation in HydrazidesAndrade, Laize A. F.; Silla, Josué M.; Cormanich, Rodrigo A.; Freitas, Matheus P.
2017Towards molecular design using 2D-molecular contour maps obtained from PLS regression coefficientsBorges, Cleber N.; Barigye, Stephen J.; Freitas, Matheus P.
Jan-2017Exploring MIA-QSPR's for the modeling of biomagnification factors of aromatic organochlorine pollutantsMota, Estella G. da; Duarte, Mariene H.; Barigye, Stephen J.; Ramalho, Teodorico C.; Freitas, Matheus P.
Dec-2017The mutual effect of a carbonyl polar bond and an endocyclic oxygen on the 1JC‐F coupling constant of fluorinated six‐membered ringsSilla, Josué M.; Freitas, Matheus P.
2017Not all third-row elements experience the fluorine gauche effect: β-fluorinated organophosphorus compoundsAndrade, Laize A. F.; Freitas, Matheus P.
2017Multi-objective modeling of herbicidal activity from an environmentally friendly perspectiveDaré, Joyce K.; Barigye, Stephen J.; Freitas, Matheus P.