Browsing by Author Rocha, Marcus V. J.

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Showing results 1 to 12 of 12
Issue DateTitleAuthor(s)
Feb-2017Asymmetric identity SN2 transition states: Nucleophilic substitution at α-substituted carbon and silicon centersRocha, Marcus V. J.; Smits, Nicole W. G.; Wolters, Lando P.; Cózar, Abelde; Guerra, Célia Fonseca; Ramalho, Teodorico C.; Bickelhaupt, F. Matthias
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
Feb-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.
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
Jan-2014Ionic desorption in PMMA-Fe3O4 hybrid materials induced by fast electrons: an experimental and theoretical investigationRocha, Marcus V. J.; Carvalho, Hudson W. P.; Lacerda, Lívia C. T.; Simões, Grazieli; Souza, Gerardo G. B. de; 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
Jan-2016Structural characterization, thermal properties, and density functional theory studies of PMMA‐maghemite hybrid materialRocha, Marcus V. J.; Carvalho, Hudson W. P. de; Sarmento, Victor H. V.; Craievich, Aldo F.; Ramalho, Teodorico C.
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.
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.
2009The search for new COX-2 inhibitors: a review of 2002 - 2008 patentsRamalho, Teodorico C.; Rocha, Marcus V. J.; Cunha, Elaine F. F. da
Feb-2013TiO2-Cu photocatalysts: a study on the long- and short-range chemical environment of the dopantCarvalho, Hudson W. P.; Rocha, Marcus V. J.; Hammer, Peter; Ramalho, Teodorico C.
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.