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Molecular dynamics simulation of the sodium octanoate micelle in aqueous solution: comparison of force field parameters and molecular topology effects on the micellar structure
We have performed a series of 10 ns Molecular Dynamics simulations of the sodium octanoate micelle inaqueous solution in the constant NpT ensemble, at p = 1 bar and T = 300 K. Two molecular topologies werestudied, one with all internal degrees of freedom and the other constraining bond stretching an...
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| Publicado no: | Brazilian Journal of Physics |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Sociedade Brasileira de Física
2004
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| Assuntos: | |
| Acesso em linha: | https://www.redalyc.org/articulo.oa?id=46434109 |
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