Carregant...
A simulation method for calculating the absolute entropy and free energy of fluids: Application to liquid argon and water
The hypothetical scanning (HS) method is a general approach for calculating the absolute entropy and free energy by analyzing Boltzmann samples obtained by Monte Carlo (MC) or molecular dynamics techniques. With HS applied to a fluid, each configuration i of the sample is reconstructed by adding its...
Guardat en:
| Autors principals: | , |
|---|---|
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
National Academy of Sciences
2004
|
| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC438959/ https://ncbi.nlm.nih.gov/pubmed/15197270 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0308197101 |
| Etiquetes: |
Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!
|