| 1 |
On the Accuracy of the Direct Method to Calculate pK(a) from Electronic Structure Calculations
Dutra FR, Silva CD, Custodio R
Journal of Physical Chemistry A, 125(1), 65, 2021 |
| 2 |
Assessment of pK(a) Determination for Monocarboxylic Acids with an Accurate Theoretical Composite Method: G4CEP
Silva CD, Custodio R
Journal of Physical Chemistry A, 123(38), 8314, 2019 |
| 3 |
Determination of Enthalpies of Formation of Fatty Acids and Esters by Density Functional Theory Calculations with an Empirical Correction
Silva MVD, Custodio R, Reis MHM
Industrial & Engineering Chemistry Research, 54(39), 9545, 2015 |
| 4 |
Electroactive 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 Detection
Maroneze CM, Rahim A, Fattori N, da Costa LP, Sigoli FA, Mazali IO, Custodio R, Gushikem Y
Electrochimica Acta, 123, 435, 2014 |
| 5 |
Double ionization energies of HCl, HBr, Cl-2 and Br-2 molecules: An MRCI study
Streit L, Machado FBC, Custodio R
Chemical Physics Letters, 506(1-3), 22, 2011 |
| 6 |
Evaluations of the BET, I-Point, and alpha-Plot Procedures for the Routine Determination of External Specific Surface Areas of Highly Dispersed and Porous Silicas
Collins KE, Collins CH, Maroneze CM, Cappovila V, Custodio R
Langmuir, 27(1), 187, 2011 |
| 7 |
The Auger spectra and the calculation of double-ionization potentials for H2O and NH3 using the Diffusion Quantum Monte Carlo method
Streit L, Custodio R
Chemical Physics Letters, 482(1-3), 148, 2009 |
| 8 |
An investigation of chlorophenol proton affinities and their influence on the biological activity of microorganisms
Basheer MM, Custodio R, Volpe PLO, Rittner R
Journal of Physical Chemistry A, 110(5), 2021, 2006 |
| 9 |
Electronic and structural properties of SnxTi1-xO2 solid solutions: a periodic DFT study
Sensato FR, Custodio R, Longo E, Beltran A, Andres J
Catalysis Today, 85(2-4), 145, 2003 |
| 10 |
An electron transfer mechanism of O-4 formation
Pavao AC, Paula JCD, Custodio R, Taft CA
Chemical Physics Letters, 370(5-6), 789, 2003 |
