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Mechanistic investigations on Pinnick oxidation: a density functional theory study

A computational study on Pinnick oxidation of aldehydes into carboxylic acids using density functional theory (DFT) calculations has been evaluated with the (SMD)-M06-2X/aug-pVDZ level of theory, leading to an important understanding of the reaction mechanism that agrees with the experimental observ...

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Detalles Bibliográficos
Autores principales:	Hussein, Aqeel A., Al-Hadedi, Azzam A. M., Mahrath, Alaa J., Moustafa, Gamal A. I., Almalki, Faisal A., Alqahtani, Alaa, Shityakov, Sergey, Algazally, Moaed E.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7062072/ https://www.ncbi.nlm.nih.gov/pubmed/32257322 http://dx.doi.org/10.1098/rsos.191568

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