Computational Catalysis and Enantioselective Catalysis

Over the last decade, computational catalysis has become one of the most dynamic study disciplines, and it is currently a vital tool for analysing chemical processes and active sites. Consistent advances in processing speed and the maturation of robust software tools have expedited this area's progress, allowing for more realistic models and the application of powerful analysis techniques. The gap between a model and reality is beginning to close as the discipline of computational catalysis grows.

Asymmetric synthesis, also known as enantioselective synthesis, is a type of chemical synthesis. It is described by IUPAC as a chemical reaction (or reaction sequence) that produces stereoisomeric (enantiomeric or diastereoisomeric) products in uneven proportions when one or more new components of chirality are produced in a substrate molecule. In synthetic technique, enantioselective catalysis is still a work in progress. The development of novel mechanistic tools for the study of asymmetric processes, on the other hand, presents some distinct challenges.