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An MM and QM Study of Biomimetic Catalysis of Diels-Alder Reactions Using Cyclodextrins

We performed a computational investigation of the mechanism by which cyclodextrins (CDs) catalyze Diels-Alder reactions between 9-anthracenemethanol and N-cyclohexylmaleimide. Hydrogen bonds (Hbonds) between N-cyclohexylmaleimide and the hydroxyl groups of cyclodextrins were suggested to play an imp...

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Detalles Bibliográficos
Autores principales:	Chen, Wei, Sun, Lipeng, Tang, Zhiye, Ali, Zulfikhar A., Wong, Bryan M., Chang, Chia-en A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6011829/ https://www.ncbi.nlm.nih.gov/pubmed/29938117 http://dx.doi.org/10.3390/catal8020051

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