Cargando…
The (not so) simple prediction of enantioselectivity – a pipeline for high-fidelity computations
The computation of reaction selectivity represents an appealing complementary route to experimental studies and a powerful means to refine catalyst design strategies. Accurately establishing the selectivity of reactions facilitated by molecular catalysts, however, remains a challenging task for comp...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9200111/ https://www.ncbi.nlm.nih.gov/pubmed/35774159 http://dx.doi.org/10.1039/d2sc01714h |