Cargando...
Reaction coordinates and rates from transition paths
The molecular mechanism of a reaction in solution is reflected in its transition-state ensemble and transition paths. We use a Bayesian formula relating the equilibrium and transition-path ensembles to identify transition states, rank reaction coordinates, and estimate rate coefficients. We also int...
Guardado en:
| Autores principales: | , |
|---|---|
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
National Academy of Sciences
2005
|
| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1100744/ https://ncbi.nlm.nih.gov/pubmed/15814618 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0408098102 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|