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New insights about electronic mechanism of electrocyclic reactions: theoretical study about stereoselectivity in cyclobutenes

This work presents the study of a series of electrocyclic reactions with the main aim of obtaining new insights into the reaction process along IRCs. The energy variation of the different reaction paths as well as the different transition states have been calculated. These trends are according to th...

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Detalles Bibliográficos
Autores principales:	Morales-Bayuelo, Alejandro, Sánchez-Márquez, Jesús
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2021
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8056243/ https://www.ncbi.nlm.nih.gov/pubmed/33898817 http://dx.doi.org/10.1016/j.heliyon.2021.e06675

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