Design of Organocatalysts for Asymmetric Propargylations through Computational Screening

The development of asymmetric catalysts is typically driven by the experimental screening of potential catalyst designs. Herein, we demonstrate the design of asymmetric propargylation catalysts through computational screening. This was done using our computational toolkit AARON (automated alkylation...

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Veröffentlicht in:	ACS catalysis 2016-11, Vol.6 (11), p.7948-7955
Hauptverfasser:	Doney, Analise C, Rooks, Benjamin J, Lu, Tongxiang, Wheeler, Steven E
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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