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Potential of mean force of association of large hydrophobic particles: towards the nanoscale limit
The potentials of mean force (PMFs) were determined, in both water with the TIP3P water model and in vacuo, for systems involving formation of nonpolar dimers composed of bicyclooctane, adamantane (both an all-atom model and a sphere with the radius of 3.4 Å representing adamantane), and fullerene,...
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| Autors principals: | , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2010
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2826153/ https://ncbi.nlm.nih.gov/pubmed/20039620 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp907794h |
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