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Mar-2009Nb-containing hematites Fe2−xNbxO3: the role of Nb5+ on the reactivity in presence of the H2O2 or ultraviolet lightSilva, Adilson C.; Oliveira, Diana Q.L.; Oliveira, Luiz C.A.; Anastácio, Alexandre S.; Ramalho, Teodorico C.; Lopes, João H.; Carvalho, Hudson W.P.; Torres, Claudia E. Rodriguez
Out-2009Nb-doped hematites for decomposition of isopropanol: evidence of surface reactivity by in situ CO adsorptionOliveira, Luiz C. A.; Zaera, Francisco; Lee, Ilkeun; Lima, Diana Q.; Ramalho, Teodorico C.; Silva, Adilson C.; Fonseca, Emanuella M. B.
2010New approaches to the development of anti-protozoan drug candidates: a review of patentsCunha, Elaine F. F. da; Ramalho, Teodorico C.; Mancini, Daiana T.; Fonseca, Emanuella M. B.; Oliveira, Aline A.
2022New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 VirusCastro, Alexandre A. de; Assis, Letícia C.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; La Porta, Felipe A.
2018A newly developed oxime K203 is the most effective reactivator of tabun-inhibited acetylcholinesteraseKuca, Kamil; Musilek, Kamil; Jun, Daniel; Zdarova-Karasova, Jana; Nepovimova, Eugenie; Soukup, Ondrej; Hrabinova, Martina; Mikler, John; Franca, Tanos C. C.; Cunha, Elaine F. F. da; Castro, Alexandre A. de; Valis, Martin; Ramalho, Teodorico C.
Mai-2019NMR relaxation and relaxivity parameters of MRI probes revealed by optimal wavelet signal compression of molecular dynamics simulationsGonçalves, Mateus A.; Santos, Lizandro S.; Peixoto, Fernando C.; Ramalho, Teodorico C.
2019Non-conventional compounds with potential therapeutic effects against Alzheimer’s diseaseCastro, Alexandre A. de; Soares, Flávia V.; Pereira, Ander F.; Polisel, Daniel A.; Caetano, Melissa S.; Leal, Daniel H. S.; Cunha, Elaine F. F. da; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico C.
2016Novas perspectivas sobre o papel dos orbitais moleculares de fronteira no estudo da reatividade química: uma revisãoPereira, Douglas Henrique; La Porta, Felipe A.; Santiago, Regis Tadeu; Garcia, Danielle R.; Ramalho, Teodorico C.
Jan-2017Optimal wavelet signal compression as an efficient alternative to investigate molecular dynamics simulations: application to thermal and solvent effects of MRI probesGonçalves, Mateus A.; Santos, Lizandro S.; Prata, Diego M.; Peixoto, Fernando C.; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico C.
2011Orbital signatures as a descriptor of regioselectivity and chemical reactivity: the role of the frontier orbitals on 1,3-dipolar cycloadditionsLa Porta, Felipe A.; Ramalho, Teodorico C.; Santiago, Régis T.; Rocha, Marcus V. J.; Cunha, Elaine F. F. da
Mai-2016Oxidative dehydration reaction of glycerol into acrylic acid: a first-principles prediction of structural and thermodynamic parameters of a bifunctional catalystLacerda, Lívia Clara T.; Pires, Maíra dos Santos; Corrêa, Silviana; Oliveira, Luiz Carlos A.; Ramalho, Teodorico C.
2018Oxime K033: reactivation activity of cholinesterases inhibited by various nerve agents and organophosphorus pesticidesKuca, Kamil; Musilek, Kamil; Jun, Daniel; Pejchal, Jaroslav; Krejcar, Ondrej; Penhaker, Marek; Wu, Qinghua; Lopes, Raquel O.; Ramalho, Teodorico C.; Franca, Tanos C.C.; Nepovimova, Eugenie; Soukup, Ondrej
2020Oxime K074: in vitro and in silico reactivation of acetylcholinesterase inhibited by nerve agents and pesticidesKuca, Kamil; Musilek, Kamil; Jun, Daniel; Nepovimova, Eugenie; Soukup, Ondrej; Korabecny, Jan; França, Tanos C. C.; Castro, Alexandre A. de; Krejcar, Ondrej; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Out-2015Parallel flexible molecular docking in computational chemistry on high performance computing clustersDoleza, Rafael; Ramalho, Teodorico C.; França, Tanos C. C.; Kuca, Kamil
2016Periodic DFT study on the adsorption and catalytic desulfurization of thiophene over VC(001) and VN(001) via hydrogenation and direct pathwaysSouza, Eugenio Furtado de; Ramalho, Teodorico C.; Alencastro, Ricardo Bicca de
2018Peroxoniobium inhibits leukemia cell growthPereira-Maia, Elene C.; Souza, Ivina P.; Nunes, Kelen J. R. C.; Castro, Alexandre A.; Ramalho, Teodorico C.; Steffler, Fernando; Duarte, Helio A.; Pacheli, Ana; Chagas, Poliana; Oliveira, Luiz C. A.
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.
Out-2010Photocatalyst TiO2-Co: the effect of doping depth profile on methylene blue degradationCarvalho, Hudson W. P.; Batista, Ana P. L.; Bertholdo, Roberto; Santilli, Celso V.; Pulcinelli, Sandra H.; Ramalho, Teodorico C.
Fev-2009Photocatalytic decomposition of methylene blue via Fenton mechanisms by silicon wafer doped with Au and Cu: a theoretical and experimental studyRamalho, Teodorico C.; Carvalho, Hudson W. P.; Batista, Ana P. L.; Pérez, Carlos A.; Gobbi, Angelo L.
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.