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Preferential Solvation in Urea Solutions at Different Concentrations: Properties from Simulation Studies
We performed molecular dynamics simulations of urea solutions at different concentrations with two urea models (OPLS and KBFF) to examine the structures responsible for the thermodynamic solution properties. Our simulation results showed that hydrogen-bonding properties such as the average number of...
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| Hlavní autoři: | , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2007
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2583237/ https://ncbi.nlm.nih.gov/pubmed/17447807 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp067659x |
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