On the enhanced reactivity and selectivity of triazole formation in molecular flasks. A theoretical rationale

The azide-alkyne cycloaddition assisted by a self-assembled molecular flask developed by Rebek and coworkers (Org. Lett., 2002, 4, 327) has been simulated by means of the ONIOM methodology, thereby evidencing the reliability of this theoretical approach to model such large encapsulated systems. Expe...

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Veröffentlicht in:	Organic & biomolecular chemistry 2011-10, Vol.9 (22), p.7638-7642
Hauptverfasser:	Cantillo, David, Ávalos, Martín, Babiano, Reyes, Cintas, Pedro, Jiménez, José L, Palacios, Juan C
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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