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A Polarization-Consistent Model for Alcohols to Predict Solvation Free Energies
[Image: see text] Classical nonpolarizable models, normally based on a combination of Lennard-Jones sites and point charges, are extensively used to model thermodynamic properties of fluids, including solvation. An important shortcoming of these models is that they do not explicitly account for pola...
Shranjeno v:
| izdano v: | J Chem Inf Model |
|---|---|
| Main Authors: | , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
American Chemical
Society
2020
|
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7145284/ https://ncbi.nlm.nih.gov/pubmed/31977210 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b01005 |
| Oznake: |
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