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A molecular electron density theory study of the mechanism, chemo- and stereoselectivity of the epoxidation reaction of R-carvone with peracetic acid

The epoxidation reaction of R-carvone 8 with peracetic acid 9 has been studied within the molecular electron density theory at the B3LYP/6-311(d,p) computational level. The chemo- and stereoisomeric reaction paths involving the two C–C double bonds of R-carvone 8 have been studied. DFT calculations...

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Detalles Bibliográficos
Autores principales:	Zeroual, Abdellah, Ríos-Gutiérrez, Mar, Amiri, Ouafa, El Idrissi, Mohammed, Domingo, Luis R.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9071017/ https://www.ncbi.nlm.nih.gov/pubmed/35529642 http://dx.doi.org/10.1039/c9ra05309c

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