1-Octanol/water partition coefficients of n-Alkanes from molecular simulations of absolute solvation free energies
The 1-octanol/water partition coefficient is an important thermodynamic variable usually employed to understand and quantify the partitioning of solutes between aqueous and organic phases. It finds widespread use in many empirical correlations to evaluate the environmental fate of pollutants as well...
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| Other Authors: | , , , |
| Format: | article |
| Language: | eng |
| Published: |
2009
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10216/98170 |
| Country: | Portugal |
| Oai: | oai:repositorio-aberto.up.pt:10216/98170 |