Theoretical Perspectives in Organocatalysis |
| |
Authors: | Nika Melnyk Iñigo Iribarren Dr. Eric Mates-Torres Dr. Cristina Trujillo |
| |
Affiliation: | School of Chemistry, Trinity College Dublin, College Green, Dublin, 2 Ireland |
| |
Abstract: | 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. |
| |
Keywords: | asymmetric organocatalysis computational design computationally-led catalyst design organocatalysts prediction |
|
|