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Data do documentoTítuloAutor(es)
Jun-2010Prediction of the Hildebrand parameter of various solvents using linear and nonlinear approachesGoodarzi, Mohammad; Duchowicz, Pablo R.; Freitas, Matheus P.; Fernández, Francisco M.
2010Description of the acid/base behavior of organic phosphines using ab initio and chemometric approachesSantiago, Regis T.; La Porta, Felipe A.; Rocha, Marcus V. J.; Ramalho, Teodorico C.; Freitas, Matheus P.; Cunha, Elaine F. F. da
2010Improvement of the oral praziquantel anthelmintic effect by cyclodextrin complexationJesus, Marcelo Bispo de; Pinto, Luciana de Mato Alves; Fraceto, Leonardo Fernandes; Magalhães, Luiz Augusto; Zanotti-Magalhães, Eliana Maria; Paula, Eneida de
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.
Jul-2010Dehydrogenation of methane by gas-phase Th, Th+, and Th2+ : theoretical insights into actinide chemistryAlmeida, K. J. de; Duarte, H. A.
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
Mai-2010Modelling the visible absorption spectra of copper(II) acetylacetonate by Density Functional TheoryAlmeida, K. J. de; Cesar, A.; Rinkevicius, Z.; Vahtras, O.; Ågren, Hans
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
Jun-2010Effect of Ni incorporation into goethite in the catalytic activity for the oxidation of nitrogen compounds in petroleumSouza, Wladmir F. de; Guimarães, Iara R.; Oliveira, Luiz C. A.; Giroto, Amanda S.; Guerreiro, Mário C.; Silva, Carmen L. T.