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2019Structure and bonding in triorganotin chlorides: a perspective from energy decomposition analysisRocha, Marcus V. J.; Vilhena, Felipe S.; Signorelli, Matheus R. M.; Carneiro, José W. de M.; Ramalho, Teodorico C.; Costa, Luciano T.
Mar-2019Structure‐based virtual screening and synthesis of Mn2+ complexes of benzothiazole derivatives for designing new MRI probesRosa, Isael Aparecido; Giacoppo, Juliana de Oliveira Silva ; Cunha, Elaine F. F. da ; Fernandes, Ítalo Antônio; Horvath, Renato de Oliveira ; Ionta, Marisa; Santos, Marcelo Henrique dos ; Ramalho, Teodorico C.
Set-2014Substituted corannulenes and sumanenes as fullerene receptors. A Dispersion-Corrected Density Functional Theory study.Josa, Daniela; Rodríguez-Otero, Jesús; Cabaleiro-Lago, Enrique M.; Santos, Lucas A.; Ramalho, Teodorico C.
Jun-2018Synergism of plant compound with traditional antimicrobials against Streptococcus spp. isolated from Bovine MastitisMaia, Natasha L.; Barros, Mariana de; Oliveira, Leandro L. de; Cardoso, Silvia A.; Santos, Marcelo H. dos; Pieri, Fabio A.; Ramalho, Teodorico C.; Cunha, Elaine F. F. da; Moreira, Maria A. S.
Mar-2023Synergistic effect of intra- and intermolecular hydrogen bond in 2-haloethanols probed by infraredMartins, Francisco A.; Ramalho, Teodorico C.; Freitas, Matheus P.
12-Set-2014Synthesis and antiproliferative activity of 8-hydroxyquinoline derivatives containing a 1,2,3-triazole moietyFreitas, Luiza B. de O.; Borgati, Thiago F.; Freitas, Rossimiriam P. de; Ruiz, Ana L. T. G.; Marchetti, Gabriela M.; Carvalho, João E. de; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Alves, Rosemeire B.
2019Synthesis and comparison of antileishmanial and cytotoxic activities of S-(−)-limonene benzaldehyde thiosemicarbazones with their R-(+)-analoguesBatista, Sabrina A. Almeida; Vandresen, Fábio; Falzirolli, Hugo; Britta, Elizandra; Oliveira, Diogo N. de; Catharino, Rodrigo R.; Gonçalves, Mateus A.; Ramalho, Teodorico C.; La Porta, Felipe A.; Nakamura, Celso V.; Silva, Cleuza C. da
2019Synthesis and theoretical study of HPW catalysts supported on niobia calcinated at 500 and 600 °CLacerda, Claudia V.; Lacerda, Livia C. T.; Castro, Alexandre A. de; França, Tanos C. C.; Ramalho, Teodorico C.; Essayem, Nadine; Gonzalez, Wilma de A.
2016Synthesis, antiproliferative activities, and computational evaluation of novel isocoumarin and 3,4-dihydroisocoumarin derivativesGuimarães, Keller G.; Freitas, Rossimiriam P. de; Ruiz, Ana L. T. G.; Fiorito, Giovanna F.; Carvalho, João E. de; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico C.; Alves, Rosemeire B.
2016Synthesis, structural characterization, and thermal properties of the poly(methylmethacrylate)/δ-FeOOH hybrid material: an experimental and theoretical studyCorrêa, Silviana; Lacerda, Lívia C. T.; Pires, Maíra dos S.; Rocha, Marcus V. J.; Nogueira, Francisco G. E.; Silva, Adilson C. da; Pereira, Marcio C.; Brito, Angela D. B. de; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Jul-2010The case of infrared carbonyl stretching intensities of 2-bromocyclohexanone: conformational and intermolecular interaction insightsCoelho, Jakelyne V.; Freitas, Matheus P.; Ramalho, Teodorico C.; Martins, Carina R.; Bitencourt, Michelle; Cormani, Rodrigo A.; Tormena, Cláudio F.; Rittner, Roberto
Set-2009The interaction between atoms of Au and Cu with clean Si(1 1 1) surface: a study combining synchrotron radiation grazing incidence X-ray fluorescence analysis and theoretical calculationsCarvalho, Hudson W.P.de; Batista, Ana P.L.; Ramalho, Teodorico C.; Pérez, Carlos A.; Gobbi, Angelo Luiz
2009The molecular basis for the behaviour of niobia species in oxidation reaction probed by theoretical calculations and experimental techniquesRamalho, Teodorico C.; Oliveira, Luiz C. A.; Carvalho, Kele T. G.; Souza, Eugênio F.; Cunha, Elaine F. F. da; Nazzaro, Marcelo
Mar-2016The natural flavone fukugetin as a mixed-type inhibitor for human tissue kallikreinsSantos, Jorge A. N.; Kondo, Márcia Y.; Freitas, Renato F.; Santos, Marcelo H. dos; Ramalho, Teodorico C.; Assis, Diego M.; Juliano, Luiz; Juliano, Maria A.; Puzer, Luciano
15-Mar-2019The Perlin effect in 2-halocyclohexanones and 2-halocyclohexanethionesRezende, Fátima M. P. de; Freitas, Matheus P.; Ramalho, Teodorico C.
4-Jun-2021The pnictogen bond: a quantitative molecular orbital pictureSantos, Lucas de Azevedo; Hamlin, Trevor A.; Ramalho, Teodorico C.; Bickelhaupt, F. Matthias
Set-2010The role of the Frontier orbitals in acid–base chemistry of organic amines probed by ab initio and chemometric techniquesLa Porta, Felipe A.; Santiago, Regis T.; Ramalho, Teodorico C.; Freitas, Matheus P.; Cunha, Elaine F. F. da
2018The role of the oximes HI-6 and HS-6 inside human acetylcholinesterase inhibited with nerve agents: a computational studyCuya, Teobaldo; Gonçalves, Arlan da Silva; Silva, Jorge Alberto Valle da; Ramalho, Teodorico C.; Kuca, Kamil; França, Tanos C.C.
2009The search for new COX-2 inhibitors: a review of 2002 - 2008 patentsRamalho, Teodorico C.; Rocha, Marcus V. J.; Cunha, Elaine F. F. da
2017The value of NMR parameters and DFT calculations for quantum information processing utilizing phosphorus heterocyclesLino, Jéssica B. R.; Rocha, Eduardo P.; Ramalho, Teodorico C.