Systematic Convergence of the Numerical Taylor Series to the Best Standard and Its Potential Implication for the Development of Composite Methods von Chinini, Guilherme Luiz, Custodio, Rogério

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Continuous approximation for linear combination coefficients: Exploring a neglected concept von de Carvalho, Pedro Oliveira Mariz, Custodio, Rogério

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Comparative assessment of the direct and isodesmic methods for pKa calculation of monocarboxylic acids using density functional theory von Ribeiro Dutra, Felipe, Custodio, Rogério

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Assessment of a composite method based on selected density functional theory methods and complete basis set extrapolation formulas von Chinini, Guilherme Luiz, Custodio, Rogério

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Partial combination of composite strategy and the B3LYP functional for the calculation of enthalpies of formation von Caldeira, Mariana Toretti, Custodio, Rogério

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On the role of vibrational selective scaling for the calculation of enthalpies of formation using a composite method von da Rocha, Nicola Leone, Custodio, Rogério

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Preliminary Assessment of the First-Order Density Matrix in Quantum Monte Carlo from Density Matrix Theory von Angelotti, Wagner F. D., Politi, José R. S., Custodio, Rogério

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Assessment of pK a Determination for Monocarboxylic Acids with an Accurate Theoretical Composite Method: G4CEP von de Souza Silva, Cleuton, Custodio, Rogério

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Design of a New Molecularly Imprinted Polymer Selective for Hydrochlorothiazide Based on Theoretical Predictions Using Gibbs Free Energy von Barros, Leonardo A., Custodio, Rogério, Rath, Susanne

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A SIMPLIFIED ROUTE TO OBTAIN THE HARTREE AND HARTREE-FOCK EQUATIONS von Custodio, Rogério

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Reply to the “Comment on ‘On the Accuracy of the Direct Method to Calculate pK a from Electronic Structure Calculations’” von Ribeiro Dutra, Felipe, de Souza Silva, Cleuton, Custodio, Rogério

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G3(MP2)//B3-SBK: A revision of a composite theory for calculations of thermochemical properties including some non-transition elements beyond the fourth period von Leal, Régis Casimiro, Custodio, Rogério

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Assessment of a numeric variational method for the solution of confined multielectron atoms von de Morais, Guilherme de Souza Tavares, Custodio, Rogério

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G4CEP: A G4 theory modification by including pseudopotential for molecules containing first-, second- and third-row representative elements von Silva, Cleuton de Souza, Pereira, Douglas Henrique, Custodio, Rogério

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Empirical corrections in the G3X and G3X(CCSD) theories combined with a compact effective pseudopotential von Silva, Cleuton de Souza, Custodio, Rogério

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Fully Anharmonic Vibrational Resonance Raman Spectrum of Diatomic Systems von Costa, Gustavo J, Borin, Antonio C, Custodio, Rogério, Vidal, Luciano N

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An energetic analysis of the Diels-Alder endo:exo selectivity reaction by using composite methods von Leal, Régis Casimiro, Pereira, Douglas Henrique, Custodio, Rogério

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Simultaneous electroanalytical determination of hydroquinone and catechol in the presence of resorcinol at an SiO2/C electrode spin-coated with a thin film of Nb2O5 von Canevari, Thiago C, Arenas, Leliz T, Landers, Richard, Custodio, Rogério, Gushikem, Yoshitaka

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W1CEP theory for computational thermochemistry von Heerdt, Gabriel, Pereira, Douglas Henrique, Custodio, Rogério, Morgon, Nelson Henrique

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Determination of Enthalpies of Formation of Fatty Acids and Esters by Density Functional Theory Calculations with an Empirical Correction von Silva, Marcos V. D, Custodio, Rogério, Reis, Miria Hespanhol Miranda

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