Teoria do funcional de densidade NH Morgon, R Custodio Química Nova 18 (1), 44-55, 1995 | 185 | 1995 |
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 | 136 | 2002 |
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 | 95 | 2003 |
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 | 66 | 2013 |
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 | 64 | 1992 |
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 | 60 | 1999 |
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 | 57 | 1992 |
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 | 54 | 2020 |
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 | 46 | 2008 |
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 | 39 | 2011 |
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 | 38 | 1999 |
O ajuste de funções matemáticas a dados experimentais R Custodio, JC Andrade, F Augusto Química Nova 20, 219-225, 1997 | 36 | 1997 |
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 (12), 2300-2311, 2016 | 35 | 2016 |
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 | 35 | 2003 |
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 | 34 | 2001 |
Lei dos processos de absorção da radiação R Custodio, LT Kubota, JC de Andrade Revista Chemkeys, 1-5, 2000 | 33 | 2000 |
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 | 31 | 2014 |
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 | 31 | 2008 |
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 | 30 | 2009 |
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 | 29 | 1998 |