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Understanding the different reactivity of (Z)- and (E)-β-nitrostyrenes in [3+2] cycloaddition reactions. An MEDT study

The experimental reactivity of isomeric (Z)- and (E)-β-nitrostyrenes participating in [3+2] cycloaddition (32CA) reactions has been analysed on the basis of molecular electron density theory (MEDT) at the HF/6-311G(d,p), B3LYP/6-311G(d,p) and ωB97X-D/6-311G(d,p) computational levels. It was found th...

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Detalles Bibliográficos
Autores principales:	Ríos-Gutiérrez, Mar, Domingo, Luis R., Jasiński, Radomir
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8695397/ https://www.ncbi.nlm.nih.gov/pubmed/35423465 http://dx.doi.org/10.1039/d1ra00891a

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