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Journal of Molecular Modeling|February 14, 2019
Partial combination of composite strategy and the B3LYP functional for the calculation of enthalpies of formationMariana Toretti Caldeira, Rogério CustodioJournal of Chemical Theory and Computation|December 12, 2024
A Preliminary Neural Network-Based Composite Method for Accurate Prediction of Enthalpies of FormationGabriel César Pereira, Rogério CustodioJournal of Chemical Theory and Computation|March 10, 2021
Systematic Convergence of the Numerical Taylor Series to the Best Standard and Its Potential Implication for the Development of Composite MethodsGuilherme Luiz Chinini, Rogério CustodioThe Journal of Physical Chemistry. A|September 5, 2019
Assessment of p<i>K</i><sub>a</sub> Determination for Monocarboxylic Acids with an Accurate Theoretical Composite Method: G4CEPCleuton de Souza Silva, Rogério CustodioJournal of Computational Chemistry|July 13, 2002
Exact Gaussian expansions of Slater-type atomic orbitalsAndré Severo Pereira Gomes, Rogério CustodioJournal of Molecular Modeling|June 30, 2021
Assessment of a numeric variational method for the solution of confined multielectron atomsGuilherme de Souza Tavares de Morais, Rogério CustodioThe Journal of Physical Chemistry. A|December 28, 2020
On the Accuracy of the Direct Method to Calculate p<i>K</i><sub>a</sub> from Electronic Structure CalculationsFelipe Ribeiro Dutra, Cleuton de Souza Silva, Rogério CustodioThe Journal of Chemical Physics|June 3, 2016
G4CEP: A G4 theory modification by including pseudopotential for molecules containing first-, second- and third-row representative elementsCleuton de Souza Silva, Douglas Henrique Pereira, Rogério CustodioJournal of Molecular Modeling|April 1, 2014
A study of the rotational barriers for some organic compounds using the G3 and G3CEP theoriesDouglas Henrique Pereira, Lucas Colucci Ducati, Roberto Rittner, et al.Journal of Chemical Theory and Computation|June 9, 2023
Preliminary Assessment of the First-Order Density Matrix in Quantum Monte Carlo from Density Matrix TheoryWagner F D Angelotti, José R S Politi, Rogério CustodioPageof 3