The Nitrilimine–Alkene Cycloaddition Regioselectivity Rationalized by Density Functional Theory Reactivity Indices

Conventional frontier molecular orbital theory is not able to satisfactorily explain the regioselectivity outcome of the nitrilimine–alkene cycloaddition. We considered that conceptual density functional theory (DFT) could be an effective theoretical framework to rationalize the regioselectivity of...

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Detalles Bibliográficos
Autores principales: Molteni, Giorgio, Ponti, Alessandro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6155748/
https://www.ncbi.nlm.nih.gov/pubmed/28134786
http://dx.doi.org/10.3390/molecules22020202

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6155748/
https://www.ncbi.nlm.nih.gov/pubmed/28134786
http://dx.doi.org/10.3390/molecules22020202

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