Cargando…
Algorithmic Explorations of Unimolecular and Bimolecular Reaction Spaces
Algorithmic reaction exploration based on transition state searches has already made inroads into many niche applications, but its potential as a general‐purpose tool is still largely unrealized. Computational cost and the absence of benchmark problems involving larger molecules remain obstacles to...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2022
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9827825/ https://www.ncbi.nlm.nih.gov/pubmed/36074520 http://dx.doi.org/10.1002/anie.202210693 |