Assessment of pKa Determination for Monocarboxylic Acids with an Accurate Theoretical Composite Method: G4CEP-Reference-Cited by-同舟云学术

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

Published:2019-09-04 Issue:38 Volume:123 Page:8314-8320
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

de Souza Silva Cleuton¹²,Custodio Rogério¹^ORCID

Affiliation:

1. Instituto de Química, Universidade Estadual de Campinas, Barão Geraldo, 13083-970 Campinas − São Paulo, Brazil

2. Instituto de Ciências Exatas e Tecnologia, Universidade Federal do Amazonas, Campus de Itacoatiara, 69100-021 Itacoatiara − Amazonas, Brazil

Funder

Fundo de Apoio ao Ensino, ? Pesquisa e Extens?o, Universidade Estadual de Campinas

Funda??o de Amparo ? Pesquisa do Estado do Amazonas

Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b05380

Reference43 articles.

1. The Activation of Carboxylic Acids via Self-Assembly Asymmetric Organocatalysis: A Combined Experimental and Computational Investigation

2. Photocatalytic Aminodecarboxylation of Carboxylic Acids

3. Ketone Formation from Carboxylic Acids by Ketonic Decarboxylation: The Exceptional Case of the Tertiary Carboxylic Acids

4. From Alkanes to Carboxylic Acids: Terminal Oxygenation by a Fungal Peroxygenase

5. Thermal- and photo-induced degradation of perfluorinated carboxylic acids: Kinetics and mechanism

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1. New Insights in the Computational pKb Determination of Primary Amines and Anilines;ChemPhysChem;2024-07-10

2. Comparative assessment of the direct and isodesmic methods for pKa calculation of monocarboxylic acids using density functional theory;Computational and Theoretical Chemistry;2024-07

3. Theoretical study of XeFx compounds: Enthalpies of formation;Chemical Physics Letters;2024-03

4. Enthalpy of formation of sodium, magnesium and lithium compounds with composite methods;Theoretical Chemistry Accounts;2023-12-27

5. Easy to Use DFT Approach for Computational pKa Determination of Carboxylic Acids;Chemistry – A European Journal;2023-11-16

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