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Data do documentoTítuloAutor(es)
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
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.
2020Perspectives on the role of the frontier effective-for-reaction molecular orbital (FERMO) in the study of chemical reactivity: an updated reviewBraga, Letícia S.; Leal, Daniel H. S.; Kuca, Kamil; Ramalho, Teodorico C.
Mar-2023Prospects of ZnS and ZnO as smart semiconductor materials in light-activated antimicrobial coatings for mitigation of severe acute respiratory syndrome coronavirus-2 infectionBenatto, V. G.; Jesus, J. P. A. de; Castro, A. A. de; Assis, L. C.; Ramalho, T. C.; La Porta, F. A.