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Data do documentoTítuloAutor(es)
1-Jun-2014Polar and stereoelectronic effects on the structural and spectroscopic properties of halomethanolsSilla, Josué M.; Freitas, Matheus P.
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
16-Jul-2021Investigating an efficient and accurate protocol for sampling structures from molecular dynamics simulations: a close look by different wavelet familiesGonçalves, Mateus A.; G. Júnior, Arismar M.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Out-2020Experimental and theoretical affinity and catalysis studies between halogenated phenols and peroxidases: understanding the bioremediation potentialBretz, Raphael Resende; Castro, Alexandre A. de; Ferreira, Igor F. Lara; Ramalho, Teodorico de Castro; Silva, Maria Cristina
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.
Jan-2015Theoretical and experimental investigation of complex structures citrate of zinc (II)Bertoli, Alexandre C.; Carvalho, Ruy; Freitas, Matheus P.; Ramalho, Teodorico C.; Mancini, Daiana T.; Oliveira, Maria C.; Varennes, Amarílis de; Dias, Ana
16-Out-2021Doping effect of Cu (II) in the adsorption of CrO42- by the Fe3O4 (111) surface: a theoretical studyPires, Maíra S.; Silva, Telles C.; Lacerda, Lívia C.T.; Castro, Alexandre A. de; Corrêa, Silviana; Oliveira, Igor S. S. de; Vaiss, Viviane S.; Nogueira, Francisco G. E.; Ramalho, Teodorico C.
5-Dez-2021Conformational analysis of halobenzaldehydes: a theoretical and spectroscopic studyFernandes, Débora da S. M.; Lago, Aline de F. S.; Thomasi, Sérgio S.; 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.