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Data do documentoTítuloAutor(es)
15-Dez-2010Photocatalytic degradation of methylene blue by TiO2-Cu thin films: theoretical and experimental studyCarvalho, Hudson W. P.; Batista, Ana P. L.; Hammer, Peter; Ramalho, Teodorico C.
15-Abr-2021Chalcogen bonds: hierarchical benchmark and density functional theory performance studySantos, Lucas de Azevedo; Ramalho, Teodorico C.; Hamlin, Trevor A.; Bickelhaupt, Matthias
Nov-2013A combined experimental and theoretical study on the formation of Crystalline Vanadium Nitride (VN) in low temperature through a fully solid-state synthesis routeSouza, Eugenio F. de; Chagas, Carlos A.; Ramalho, Teodorico C.; Silva, Victor Teixeira da; Aguiar, Daniel L. M.; Gil, Rosane San; Alencastro, Ricardo B. de
Out-2009Prediction of 13C chemical shifts in methoxyflavonol derivatives using MIA-QSPRGoodarzi, Mohammad; Freitas, Matheus P.; Ramalho, Teodorico C.
2010Molecular modeling of Mycobacterium tuberculosis DNA gyrase and its molecular docking study with gatifloxacin inhibitorsCunha, Elaine F. F. da; Barbosa, Edilaine F.; Oliveira, Aline A.; 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
2012Molecular modeling of the toxoplasma gondii adenosine kinase inhibitorsMancini, Daiana Teixeira; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Freitas, Matheus P.
Jul-2012Computer-assisted assessment of potentially useful non-peptide HIV-1 protease inhibitorsDeeb, Omar; Cunha, Elaine F. F. da; Cormanich, Rodrigo A.; Ramalho, Teodorico C.; Freitas, Matheus P.
2019Asymmetric biodegradation of the nerve agents Sarin and VX by human dUTPase: chemometrics, molecular docking and hybrid QM/MM calculationsCastro, Alexandre A. de; Soares, Flávia Villela; Pereira, Ander Francisco; Silva, Telles Cardoso; Silva, Daniela Rodrigues; Mancini, Daiana Teixeira; Caetano, Melissa Soares; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Set-2018Probing long-range spin-spin coupling constants in 2-halo-substituted cyclohexanones and cyclohexanethiones: the role of solvent and stereoelectronic effectsRezende, Fátima M. P. de; Freitas, Matheus P.; Ramalho, Teodorico C.