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Rogerio Custodio
Rogerio Custodio
Professor of Physical Chemistry, State University of Campinas
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Citado por
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Año
Teoria do funcional de densidade
NH Morgon, R Custodio
Química Nova 18 (1), 44-55, 1995
1891995
Periodic study on the structural and electronic properties of bulk, oxidized and reduced SnO2 (1 1 0) surfaces and the interaction with O2
FR Sensato, R Custódio, M Calatayud, A Beltrán, J Andrés, JR Sambrano, ...
Surface Science 511 (1-3), 408-420, 2002
1362002
Electronic and structural properties of SnxTi1− xO2 solid solutions: a periodic DFT study
FR Sensato, R Custodio, E Longo, A Beltrán, J Andrés
Catalysis today 85 (2-4), 145-152, 2003
952003
Simultaneous electroanalytical determination of hydroquinone and catechol in the presence of resorcinol at an SiO 2/C electrode spin-coated with a thin film of Nb 2 O 5
TC Canevari, LT Arenas, R Landers, R Custodio, Y Gushikem
Analyst 138 (1), 315-324, 2013
662013
Application of an optimization technique to the discretized version of the Griffin–Hill–Wheeler–Hartree–Fock equations
R Custodio, M Giordan, NH Morgon, JD Goddard
International journal of quantum chemistry 42 (3), 411-423, 1992
641992
Regioselectivity of the nitration of phenol by acetyl nitrate adsorbed on silica gel
JAR Rodrigues, AP de Oliveira Filho, PJS Moran, R Custódio
Tetrahedron 55 (22), 6733-6738, 1999
591999
The application of an optimization technique to the development of universal basis sets
R Custodio, JD Goddard, M Giordan, NH Morgon
Canadian Journal of Chemistry 70 (2), 580-588, 1992
561992
On the Accuracy of the Direct Method to Calculate pKa from Electronic Structure Calculations
FR Dutra, CS Silva, R Custodio
The Journal of Physical Chemistry A 125 (1), 65-73, 2020
502020
Parâmetros morfológicos de mudas de Sesbania virgata (Caz.) Pers e de Anadenanthera peregrina (L.) cultivadas em substrato fertilizado com composto de lixo urbano
RSA Nóbrega, AM Paula, RC Vilas Boas, JCA Nóbrega, FMS Moreira
Revista Árvore 32, 597-607, 2008
462008
Implementation of pseudopotential in the G3 theory for molecules containing first-, second-, and non-transition third-row atoms
DH Pereira, AF Ramos, NH Morgon, R Custodio
The Journal of Chemical Physics 135 (3), 2011
392011
O ajuste de funções matemáticas a dados experimentais
R Custodio, JC Andrade, F Augusto
Química Nova 20, 219-225, 1997
381997
Theoretical studies of Nile Red by ab initio and semiempirical methods
LC Dias Jr, R Custodio, FBT Pessine
Chemical physics letters 302 (5-6), 505-510, 1999
371999
Sulfide and sulfoxide oxidations by mono-and diperoxo complexes of molybdenum. A density functional study
FR Sensato, R Custodio, E Longo, VS Safont, J Andres
The Journal of Organic Chemistry 68 (15), 5870-5874, 2003
322003
Molecular Structure of the Molybdenum Oxo-Diperoxo Compound MoO(O2)2(OPy)(H2O):  A Computational and X-ray Study
FR Sensato, QB Cass, E Longo, J Zukerman-Schpector, R Custodio, ...
Inorganic Chemistry 40 (23), 6022-6025, 2001
322001
Design of a new molecularly imprinted polymer selective for hydrochlorothiazide based on theoretical predictions using Gibbs free energy
LA Barros, R Custodio, S Rath
Journal of the Brazilian Chemical Society 27, 2300-2311, 2016
312016
Electroactive properties of 1-propyl-3-methylimidazolium ionic liquid covalently bonded on mesoporous silica surface: development of an electrochemical sensor probed for NADH …
CM Maroneze, A Rahim, N Fattori, LP da Costa, FA Sigoli, IO Mazali, ...
Electrochimica Acta 123, 435-440, 2014
312014
Uma abordagem simplificada do método Monte Carlo Quântico: da solução de integrais ao problema da distribuição eletrônica
WFD Angelotti, AL Fonseca, GB Torres, R Custodio
Química Nova 31, 433-444, 2008
312008
Lei dos processos de absorção da radiação
R Custodio, LT Kubota, JC de Andrade
Revista Chemkeys, 1-5, 2000
312000
Electrical field effects on dipole moment, structure and energetic of (H2O) n (2⩽ n⩽ 15) cluster
EJL Toledo, R Custodio, TC Ramalho, MEG Porto, ZM Magriotis
Journal of Molecular Structure: THEOCHEM 915 (1-3), 170-177, 2009
302009
Infrared vibrational intensities, polar tensors, and core electron energies of the group IV hydrides and the fluorosilanes
AE de Oliveira, PH Guadagnini, R Custodio, RE Bruns
The Journal of Physical Chemistry A 102 (24), 4615-4622, 1998
291998
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Artículos 1–20