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Data do documentoTítuloAutor(es)
15-Dez-2009Electrical field effects on dipole moment, structure and energetic of (H2O)n (2 ⩽ n ⩽ 15) clusterToledo, Evelyn J. L.; Custodio, Rogério; Ramalho, Teodorico C.; Porto, Maria Eugênia Garcia; Magriotis, Zuy M.
Jul-2012Adsorption of aromatic compounds under magnetic field influenceBrito, Juliana Ferreira de; Ferreira, Laís de Oliveira; Pereira, Maísa Carla Ragozoni; Silva, Joaquim Paulo da; Ramalho, Teodorico C.
-Experimental and theoretical study on the reactivity of maghemite doped with Cu2+ in oxidation reactions: structural and thermodynamic properties towards a Fenton catalystPires, Maíra dos Santos; Nogueira, Francisco G. E.; Torres, Juliana A.; Lacerda, Lívia C. T.; Corrêa, Silviana; Pereira, Márcio C.; Ramalho, Teodorico C.
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.
Ago-2012F···HO as the main transmission mechanism for 1hJF,H(O) coupling constant in 2'-fluoroflavonolFonseca, Tânia A. O.; Ramalho, Teodorico C.; Freitas, Matheus P.
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
Fev-2015Theoretical spectroscopic studies and identification of metal-citrate (Cd and Pb) complexes by ESI-MS in aqueous solutionBertoli, Alexandre C.; Carvalho, Ruy; Freitas, Matheus P.; Ramalho, Teodorico C.; Mancini, Daiana T.; Oliveira, Maria C.; Varennes, Amarílis de; Dias, Ana
Dez-20111hJFH coupling in 2-fluorophenol revisited: is intramolecular hydrogen bond responsible for this long-range coupling?Cormanich, Rodrigo A.; Moreira, Marilua A.; Freitas, Matheus P.; Ramalho, Teodorico C.; Anconi, Cléber P. A.; Rittner, Roberto; Contreras, Rubén H.; Tormena, Cláudio F.
Fev-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.
2022Theoretical construction of thermodynamic relations for a solvent-controlled phase transition to improve the bioavailability of drugs: a case study of indomethacinBrito, Kelvyn P. S. de; Braga, Letícia S.; Ramalho, Teodorico C.; Cardoso, Tatiana R.; Cunha, Elaine F. F. da