Journal
CHEMISTRY-A EUROPEAN JOURNAL
Volume 28, Issue 58, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.202201570
Keywords
asymmetric organocatalysis; computational design; computationally-led catalyst design; organocatalysts; prediction
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Funding
- Science Foundation Ireland [SFI 18/SIRG/5517]
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This review provides a comprehensive overview of the expanding field of organocatalysis and the novel strategies employed in catalyst design. Computational methods have emerged as a more economical approach for exploring different chemical systems. The review discusses the evolution of theoretical approaches in organocatalysis, from traditional manual-driven methods to the recent machine-driven ones.
It is clear that the field of organocatalysis is continuously expanding during the last decades. With increasing computational capacity and new techniques, computational methods have provided a more economic approach to explore different chemical systems. This review offers a broad yet concise overview of current state-of-the-art studies that have employed novel strategies for catalyst design. The evolution of the all different theoretical approaches most commonly used within organocatalysis is discussed, from the traditional approach, manual-driven, to the most recent one, machine-driven.
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