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Data do documentoTítuloAutor(es)
Ago-2021Effect of dimethyl sulfoxide intercalation into kaolinite on etheramine adsorption: experimental and theoretical investigationLeal, Paulo Vitor Brandão; Pereira, Douglas Henrique; Papini, Rísia Magriotis; Magriotis, Zuy Maria
Jan-2020Computational design of synthetic receptors for drug detection: interaction between molecularly imprinted polymers and MDMA (3,4-methylenedioxymethamphetamine)Sales, Thais Aparecida; Ramalho, Teodorico de Castro
Ago-2018Informação quântica e parâmetros de ressonância magnética nuclearLino, Jéssica B. dos R.; Ramalho, Teodorico C.
2016Is conformation a fundamental descriptor in QSAR? A case for halogenated anestheticsGuimarães, Maria C.; Duarte, Mariene H.; Silla, Josué M.; Freitas, Matheus P.
Dez-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.
Dez-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.
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.
12-Out-2010Molecular modeling of Mycobacterium tuberculosis dUTpase: docking and catalytic mechanism studiesRamalho, Teodorico C.; Caetano, Melissa S.; Josa, Daniela; Luz, Gustavo P.; Freitas, Elisangela A.; Cunha, Elaine F. F. da
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.