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Data do documentoTítuloAutor(es)
Jun-2016Quantitative modeling of bioconcentration factors of carbonyl herbicides using multivariate image analysisFreitas, Mirlaine R.; Barigye, Stephen J.; Daré, Joyce K.; Freitas, Matheus P.
15-Abr-2016Aug-MIA-SPR/PLS-DA classification of carbonyl herbicides according to levels of soil sorptionFreitas, Mirlaine R.; Barigye, Stephen J.; Daré, Joyce K.; Freitas, Matheus P.
2016Is conformation a fundamental descriptor in QSAR? A case for halogenated anestheticsGuimarães, Maria C.; Duarte, Mariene H.; Silla, Josué M.; Freitas, Matheus P.
2016Interactions affecting 1JC–F SSCCs in neutral and ionic 2-, 3- and 4-fluoro-substituted piperidines: normal and reverse fluorine Perlin-like effectSilla, Josue M.; Freitas, Matheus P.
Abr-2016Interactions fulvate-metal (Zn2+, Cu2+ and Fe2+): theoretical investigation of thermodynamic, structural and spectroscopic propertiesBertoli, Alexandre C.; Garcia, Jerusa S.; Trevisan, Marcello G.; Ramalho, Teodorico C.; Freitas, Matheus P.
2016A halogen bond does not dictate the conformational preferences of cis-1,3-disubstituted cyclohexanesSilla, Josué M.; Freitas, Matheus P.
2016Is the bioconformation of 5-deoxy-5-fluoro-D-xylulose affected by intramolecular hydrogen bonds?Guimarães, Maria C.; Silla, Josué M.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Freitas, Matheus P.
2016MIA-plot: a graphical tool for viewing descriptor contributions in MIA-QSARBarigye, Stephen J.; Duarte, Mariene H.; Nunes, Cleiton A.; Freitas, Matheus P.
15-Jun-2016Theoretical and NMR experimental insights on urea, thiourea and diindolyurea as fluoride carriersMendonça, João Guilherme P.; Silla, Josué M.; Andrade, Laize A. F.; Fernandes, Sergio A.; Cormanich, Rodrigo A.; Freitas, Matheus P.
1-Jul-2016The role of nonbonding interactions and the presence of fluoride on the conformational isomerism of 1,2-ethanediolSilva, Weslley G. D. P.; Silla, Josué M.; Cormanich, Rodrigo A.; Fernandes, Sergio A.; Freitas, Matheus P.