Enthalpy of formation of sodium, magnesium and lithium compounds with composite methods.

Autor: de Souza Silva, Cleuton

Publikováno v: Theoretical Chemistry Accounts: Theory, Computation, & Modeling; Jan2024, Vol. 143 Issue 1, p1-13, 13p

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Assessment of pKa Determination for Monocarboxylic Acids with an Accurate Theoretical Composite Method: G4CEP.

Autor: de Souza Silva, Cleuton, Custodio, Rogério

Publikováno v: Journal of Physical Chemistry A; 9/26/2019, Vol. 123 Issue 38, p8314-8320, 7p

Reply to the "Comment on 'On the Accuracy of the Direct Method to Calculate pKa from Electronic Structure Calculations'".

Autor: Ribeiro Dutra, Felipe, de Souza Silva, Cleuton, Custodio, Rogério

Publikováno v: Journal of Physical Chemistry A; 2/3/2022, Vol. 126 Issue 4, p650-651, 2p

Reply to the "Comment on 'On the Accuracy of the Direct Method to Calculate p K a from Electronic Structure Calculations'".

Autor: Ribeiro Dutra F; Instituto de Química, Universidade Estadual de Campinas, P.O. Box 6154, Barão Geraldo, 13083-970 Campinas São Paulo, Brazil., de Souza Silva C; Instituto de Ciências Exatas e Tecnologia, Universidade Federal do Amazonas, Campus de Itacoatiara, 69100-021 Itacoatiara, Amazonas, Brazil., Custodio R; Instituto de Química, Universidade Estadual de Campinas, P.O. Box 6154, Barão Geraldo, 13083-970 Campinas São Paulo, Brazil.

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2022 Feb 03; Vol. 126 (4), pp. 650-651. Date of Electronic Publication: 2022 Jan 14.