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Enthalpy-Entropy contributions to the potential of mean force of nanoscopic hydrophobic solutes
Entropic and enthalpic contributions to the hydrophobic interaction between nanoscopic hydrophobic solutes, modeled as graphene plates in water have been calculated using molecular dynamics simulations in isothermal-isobaric (NPT) ensemble and with free energy perturbation methodology. We find the s...
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| Glavni autori: | , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2006
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| Teme: | |
| Online pristup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2538449/ https://ncbi.nlm.nih.gov/pubmed/16623532 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp056909r |
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