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Data do documentoTítuloAutor(es)
Fev-2015Theoretical spectroscopic studies and identification of metal-citrate (Cd and Pb) complexes by ESI-MS in aqueous solutionBertoli, Alexandre C.; Carvalho, Ruy; Freitas, Matheus P.; Ramalho, Teodorico C.; Mancini, Daiana T.; Oliveira, Maria C.; Varennes, Amarílis de; Dias, Ana
Mai-2015A molecular dynamics of cold neutral atoms captured by carbon nanotube under electric field and thermal effect as a selective atoms sensorSantos, Elson C.; Neto, Abel F. G.; Maneschy, Carlos E.; Chen, James; Ramalho, Teodorico C.; C. Neto, A. M. J.
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
Ago-2015Molecular insight into the inhibition mechanism of plant and rat 4-hydroxyphenylpyruvate dioxygenase by molecular docking and DFT calculationsSilva, Telles Cardoso; Pires, Maíra dos Santos; Castro, Alexandre Alves de; Cunha, Elaine F. F. da; Caetano, Melissa Soares; Ramalho, Teodorico C.
2015Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agentsGiacoppo, Juliana O. S.; França, Tanos C. C.; Kuča, Kamil; Cunha, Elaine F. F. da; Abagyan, Ruben; Mancini, Daiana Teixeira; Ramalho, Teodorico C.
Mar-2015Structural determination of Cu and Fe-Citrate complexes: theoretical investigation and analysis by ESI-MSBertoli, Alexandre C.; Carvalho, Ruy; Freitas, Matheus P.; Ramalho, Teodorico C.; Mancini, Daiana T.; Oliveira, Maria C.; Varennes, Amarílis de; Dias, Ana
16-Fev-2015Molecular modeling toward selective inhibitors of dihydrofolate reductase from the biological warfare agent Bacillus anthracisGiacoppo, Juliana O. S.; Mancini, Daiana T.; Guimarães, Ana P.; Gonçalves, Arlan S.; Cunha, Elaine F. F. da; França, Tanos C. C.; Ramalho, Teodorico C.
Abr-2015Fe-DPA as catalyst for oxidation of organic contaminants: evidence of homogeneous fenton processRamos, Paulize H.; La Porta, Felipe A.; Resende, Eliane C. de; Giacoppo, Juliana O. S.; Guerreiro, Mario C.; Ramalho, Teodorico C.
2015Quantum chemical topological analysis of hydrogen bonding in HX... HX and CH3X... HX dimers (X = Br, Cl, F)Cormanich, Rodrigo A.; Santiago, Régis T.; La Porta, Felipe A.; Freitas, Matheus P.; Rittner, Roberto; Cunha, Elaine F. F. da; Andres, Juan; Longo, Elson; Ramalho, Teodorico C.
Out-2015Conformational exploration of enflurane in solution and in a biological environmentAndrade, Laize A. F.; Silla, Josué M.; Stephens, Susanna L.; Marat, Kirk; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; van Wijngaarden, Jennifer; Freitas, Matheus P.