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Revisiting the Carboxylic Acid Dimers in Aqueous Solution: Interplay of Hydrogen Bonding, Hydrophobic Interactions, and Entropy
Carboxylic acid dimers are useful model systems for understanding the interplay of hydrogen bonding, hydrophobic effects, and entropy in self-association and assembly. Through extensive sampling with a classical force field and careful free energy analysis, it is demonstrated that both hydrogen bond...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2007
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2561919/ https://ncbi.nlm.nih.gov/pubmed/17880128 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp074355h |
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