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Temperature extrapolation of multicomponent grand canonical free energy landscapes
We derive a method for extrapolating the grand canonical free energy landscape of a multicomponent fluid system from one temperature to another. Previously, we introduced this statistical mechanical framework for the case where kinetic energy contributions to the classical partition function were ne...
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| Veröffentlicht in: | J Chem Phys |
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| Hauptverfasser: | , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2017
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5840807/ https://ncbi.nlm.nih.gov/pubmed/28789543 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4996759 |
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