Finite Temperature Properties of Clusters by Replica Exchange Metadynamics: The Water Nonamer.
The article presents a research which examines the thermal properties of classical nanoclusters by using replica exchange metadynamics method. It is reported that, the method is basically a sampling technique in which yields the true free energy of each relevant cluster structure. It is reported tha...
| Publicado en: | Journal of the American Chemical Society Vol. 133; no. 8; pp. 2535 - 2541 |
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| Formato: | Artículo |
| Publicado: |
American Chemical Society
3/2/2011
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |