Investigation of G4(MP2)-XK theory for antimony compounds’ thermochemistry
de Souza Silva, Cleuton, das Chagas Alves Lima, Francisco
Published in Journal of molecular modeling (01.12.2022)
Published in Journal of molecular modeling (01.12.2022)
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Journal Article
Theoretical study of XeFx compounds: Enthalpies of formation
de Souza Silva, Cleuton, das Chagas Alves Lima, Francisco
Published in Chemical physics letters (16.03.2024)
Published in Chemical physics letters (16.03.2024)
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Journal Article
Assessment of pK a Determination for Monocarboxylic Acids with an Accurate Theoretical Composite Method: G4CEP
de Souza Silva, Cleuton, Custodio, Rogério
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.09.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.09.2019)
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Journal Article
Reply to the “Comment on ‘On the Accuracy of the Direct Method to Calculate pK a from Electronic Structure Calculations’”
Ribeiro Dutra, Felipe, de Souza Silva, Cleuton, Custodio, Rogério
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.02.2022)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.02.2022)
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Journal Article
Theoretical study of iodine compounds: Enthalpies of formation
Souza Silva, Cleuton de, das Chagas Alves Lima, Francisco
Published in Computational and theoretical chemistry (01.07.2023)
Published in Computational and theoretical chemistry (01.07.2023)
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Journal Article
Reply to the "Comment on 'On the Accuracy of the Direct Method to Calculate pKa from Electronic Structure Calculations'"
Ribeiro Dutra, Felipe, de Souza Silva, Cleuton, Custodio, Rogério
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.02.2022)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.02.2022)
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Journal Article
Assessment of p K a Determination for Monocarboxylic Acids with an Accurate Theoretical Composite Method: G4CEP
de Souza Silva, Cleuton, Custodio, Rogério
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.09.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.09.2019)
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Journal Article
Reply to the "Comment on 'On the Accuracy of the Direct Method to Calculate p K a from Electronic Structure Calculations'"
Ribeiro Dutra, Felipe, de Souza Silva, Cleuton, Custodio, Rogério
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.02.2022)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.02.2022)
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Journal Article
On the Accuracy of the Direct Method to Calculate pKa from Electronic Structure Calculations
Dutra, Felipe Ribeiro, Silva, Cleuton de Souza, Custodio, Rogério
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.01.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.01.2021)
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Journal Article
On the Accuracy of the Direct Method to Calculate p K a from Electronic Structure Calculations
Dutra, Felipe Ribeiro, Silva, Cleuton de Souza, Custodio, Rogério
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.01.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.01.2021)
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Journal Article
Assessment of pKa Determination for Monocarboxylic Acids With An Accurate Theoretical Composite Method: G4cep
Silva, Cleuton de Souza, Custodio, Rogério
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.09.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.09.2019)
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Journal Article
G4CEP: A G4 theory modification by including pseudopotential for molecules containing first-, second- and third-row representative elements
Silva, Cleuton de Souza, Pereira, Douglas Henrique, Custodio, Rogério
Published in The Journal of chemical physics (28.05.2016)
Published in The Journal of chemical physics (28.05.2016)
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