Theoretical Study on Regioselectivity of the Diels-Alder Reaction between 1,8-Dichloroanthracene and Acrolein

A theoretical study of the regioselectivity of the Diels-Alder reaction between 1,8-dichloroanthracene and acrolein is performed using DFT at the B3LYP/6-31G(d,p) level of theory. The FMO analysis, global and local reactivity indices confirmed the reported experimental results. Potential energy surf...

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Detalles Bibliográficos
Autores principales: Sultan, Mujeeb A., Karama, Usama, Almansour, Abdulrahman I., Soliman, Saied M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6272940/
https://www.ncbi.nlm.nih.gov/pubmed/27669204
http://dx.doi.org/10.3390/molecules21101277

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6272940/
https://www.ncbi.nlm.nih.gov/pubmed/27669204
http://dx.doi.org/10.3390/molecules21101277

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