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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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Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:J Chem Phys
Egile Nagusiak: Mahynski, Nathan A., Errington, Jeffrey R., Shen, Vincent K.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2017
Gaiak:
Sarrera elektronikoa: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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