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Data do documentoTítuloAutor(es)
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
2013Construction and assessment of reaction models between F1F0-synthase and organotin compounds: molecular docking and quantum calculationsRocha, Marcus V. J.; Ramalho, Teodorico C.; Caetano, Melissa S.; Cunha, Elaine F. F. da
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
Fev-2016Degradation of organic compounds in a fenton system based on chitosan/Fe0/Fe2O3 composites: a theoretical and experimental studyFerreira, Laís O.; Lemos, Ana C. C.; Nogueira, Francisco G. E.; Guimaraes, Iara R.; Guerreiro, Mario C.; Rocha, Marcus V. J.; Savedra, Ranylson M. L.; Hammer, Peter; Brito, Angela D. B.; Cunha, Elaine F. F. da; Silva, Joaquim P.; Ramalho, Teodorico 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
2010Understanding the molecular behavior of organotin compounds to design their effective use as grochemicals: exploration via quantum chemistry and experimentsRamalho, Teodorico C.; Rocha, Marcus V. J.; Cunha, Elaine F. F. da; Oliveira, Luiz C. A.; Carvalho, Kele T. G.
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.