Molecular Dynamics Simulation of Imidazole Aqueous Solution at 298.15, 303.15 and 308.15 K
M D simulation of Imidazole aqueous solution at 298.15, 303.15 and 308.15 K was carried out by using OPLS force field from this simulation we calculate RDF of N-H… OH2 and N…HOH type of interactions, the results show that the hydration shell around N-H site at 5A0 decade with the increase of...
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| Autor principal: | |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
University of Baghdad
2017-05-01
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| coleção: | Ibn Al-Haitham Journal for Pure and Applied Sciences |
| Assuntos: | |
| Acesso em linha: | https://jih.uobaghdad.edu.iq/index.php/j/article/view/627 |
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