Classical molecular-dynamics simulation of the hydroxyl radical in water
We have studied the hydration and diffusion of the hydroxyl radical O H0 in water using classical molecular dynamics. We report the atomic radial distribution functions, hydrogen-bond distributions, angular distribution functions, and lifetimes of the hydration structures. The most frequent hydratio...
Guardado en:
| Autores principales: | Campo, M.G., Grigera, J.R. |
|---|---|
| Formato: | Artículo publishedVersion |
| Lenguaje: | Inglés |
| Publicado: |
2005
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| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00219606_v123_n8_p_Campo |
| Aporte de: |
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