Browsing by Author Custodio, R

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PreviewIssue DateTitleAuthor(s)AdvisorType
2006Systematic sequences of geometric relativistic basis sets. I: s- and p-block elements up to XeGomes, ASP; Custodio, R; Visscher, L-Artigo de periódico
2003Comments on the quantum Monte Carlo method and the density matrix theoryPoliti, JRD; Custodio, R-Artigo de periódico
2011Double ionization energies of HCl, HBr, Cl-2 and Br-2 molecules: An MRCI studyStreit, L; Machado, FBC; Custodio, R-Artigo de periódico
1997Curve fitting of mathematical functions to experimental data.Custodio, R; DeAndrade, JC; Augusto, F-Artigo de periódico
2002Periodic study on the structural and electronic properties of bulk, oxidized and reduced SnO2(110) surfaces and the interaction with O-2Sensato, FR; Custodio, R; Calatayud, M; Beltran, A; Andres, J; Sambrano, JR; Longo, E-Artigo de periódico
1996Pyrrolizidine alkaloids necine bases: Ab initio, semiempirical, and molecular mechanics approaches to molecular propertiesGiordan, M; Custodio, R; Trigo, JR-Artigo de periódico
1999Theoretical studies of Nile Red by ab initio and semiempirical methodsDias, LC; Custodio, R; Pessine, FBT-Artigo de periódico
2001Molecular structure of the molybdenum oxo-diperoxo compound MoO(O-2)(2)(OPy)(H2O): A computational and X-ray studySensato, FR; Cass, QB; Longo, E; Zukerman-Schpector, J; Custodio, R; Andres, J; Hernandes, MZ; Longo, RL-Artigo de periódico
2003Theoretical investigation of the conformational behaviour of 3-monosubstituted 2-methylpropenesSchuquel, ITA; Custodio, R; Oliveira, PR; Rittner, R-Artigo de periódico
2007Theoretical investigation of the reducing capacity of sodium borohydride and sodium acetoxyborohydride derivativesMachado, MA; Braga, ACH; Custodio, R-Artigo de periódico
1999Regioselectivity of the nitration of phenol by acetyl nitrate adsorbed on silica gelRodrigues, JAR; de Oliveira, AP; Moran, PJS; Custodio, R-Artigo de periódico
2003Electronic and structural properties of SnxTi1-xO2 solid solutions: a periodic DFT studySensato, FR; Custodio, R; Longo, E; Beltran, A; Andres, J-Artigo de periódico
2011Evaluations of the BET, I-Point, and alpha-Plot Procedures for the Routine Determination of External Specific Surface Areas of Highly Dispersed and Porous SilicasCollins, KE; Collins, CH; Maroneze, CM; Cappovila, V; Custodio, R-Artigo de periódico
2002Exact Gaussian expansions of Slater-type atomic orbitalsGomes, ASP; Custodio, R-Artigo de periódico
2009The Auger spectra and the calculation of double-ionization potentials for H2O and NH3 using the Diffusion Quantum Monte Carlo methodStreit, L; Custodio, R-Artigo de periódico
2014Electroactive Properties of 1-propyl-3-methylimidazolium Ionic Liquid Covalently Bonded on Mesoporous Silica Surface: Development of an Electrochemical Sensor Probed for NADH, Dopamine and Uric Acid DetectionMaroneze, CM; Rahim, A; Fattori, N; da Costa, LP; Sigoli, FA; Mazali, IO; Custodio, R; Gushikem, Y-Artigo de periódico
1998Infrared vibrational intensities, polar tensors, and core electron energies of the group IV hydrides and the fluorosilanesde Oliveira, AE; Guadagnini, PH; Custodio, R; Bruns, RE-Artigo de periódico
2003Sulfide and sulfoxide oxidations by mono- and diperoxo complexes of molybdenum. A density functional studySensato, FR; Custodio, R; Longo, E; Safont, VS; Andres, J-Artigo de periódico
2009Substituent effect in n-hexanes and n-hexatrienes based on core-electron binding energies calculated with density-functional theoryTakahata, Y; Marques, AD; Custodio, R-Artigo de periódico
2002Four alternatives to solve Schrodinger equation.Custodio, R; Politi, JRD; Segala, M; Haiduke, RLA; Cyrillo, M-Artigo de periódico