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Solute–Solvent Energetics Based on Proximal Distribution Functions
We consider the hydration structure and thermodynamic energetics of solutes in aqueous solution. On the basis of the dominant local correlation between the solvent and the chemical nature of the solute atoms, proximal distribution functions (pDF) can be used to quantitatively estimate the hydration...
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| Udgivet i: | J Phys Chem B |
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| Main Authors: | , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2016
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5312610/ https://ncbi.nlm.nih.gov/pubmed/27095487 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.6b01898 |
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