On the regioselectivity of the Diels–Alder cycloaddition to C(60) in high spin states

Controlling the regioselectivity in the exohedral functionalization of fullerenes and endohedral metallofullerenes is essential to produce specific desired fullerene derivatives. In this work, using density functional theory (DFT) calculations, we show that the regioselectivity of the Diels–Alder (D...

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Detalles Bibliográficos
Autores principales: El Bakouri, Ouissam, Garcia-Borràs, Marc, Girón, Rosa M., Filippone, Salvatore, Martín, Nazario, Solà, Miquel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5932534/
https://www.ncbi.nlm.nih.gov/pubmed/29417103
http://dx.doi.org/10.1039/c7cp07965f

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5932534/
https://www.ncbi.nlm.nih.gov/pubmed/29417103
http://dx.doi.org/10.1039/c7cp07965f

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