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The application of the thermodynamic perturbation theory to study the hydrophobic hydration
The thermodynamic perturbation theory was tested against newly obtained Monte Carlo computer simulations to describe the major features of the hydrophobic effect in a simple 3D-Mercedes-Benz water model: the temperature and hydrophobe size dependence on entropy, enthalpy, and free energy of transfer...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3724728/ https://ncbi.nlm.nih.gov/pubmed/23862923 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4812744 |
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