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DFT exploration of [3 + 2] cycloaddition reaction of 1H-phosphorinium-3-olate and 1-methylphosphorinium-3-olate with methyl methacrylate

A Molecular Electron Density Theory (MEDT) study of the regio- and stereoselectivity of the [3 + 2] cycloaddition (32CA) reaction of 1H-phosphorinium-3-olate and 1-methylphosphorinium-3-olate with methyl methacrylate was carried out using the B3LYP/6-31G(d) method. In order to test the method depend...

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Detalles Bibliográficos
Autores principales:	Hallooman, Dhanashree, Ríos-Gutiérrez, Mar, Rhyman, Lydia, Alswaidan, Ibrahim A., Domingo, Luis R., Ramasami, Ponnadurai
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9083896/ https://www.ncbi.nlm.nih.gov/pubmed/35539990 http://dx.doi.org/10.1039/c8ra04703k

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