Cargando…
Quantum chemical calculations for reaction prediction in the development of synthetic methodologies
Quantum chemical calculations have been used in the development of synthetic methodologies to analyze the reaction mechanisms of the developed reactions. Their ability to estimate chemical reaction pathways, including transition state energies and connected equilibria, has led researchers to embrace...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10619630/ https://www.ncbi.nlm.nih.gov/pubmed/37920348 http://dx.doi.org/10.1039/d3sc03319h |