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Determination of partial molar volumes from free energy perturbation theory()

Partial molar volume is an important thermodynamic property that gives insights into molecular size and intermolecular interactions in solution. Theoretical frameworks for determining the partial molar volume (V°) of a solvated molecule generally apply Scaled Particle Theory or Kirkwood–Buff theory....

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發表在:Phys Chem Chem Phys
Main Authors: Vilseck, Jonah Z., Tirado-Rives, Julian, Jorgensen, William L.
格式: Artigo
語言:Inglês
出版: 2015
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC4872387/
https://ncbi.nlm.nih.gov/pubmed/25589343
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c4cp05304d
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