A Theoretical Study of the Hydration of Methane, from the Aqueous Solution to the sI Hydrate-Liquid Water-Gas Coexistence

Monte Carlo and molecular dynamics simulations were done with three recent water models TIP4P/2005 (Transferable Intermolecular Potential with 4 Points/2005), TIP4P/Ice (Transferable Intermolecular Potential with 4 Points/ Ice) and TIP4Q (Transferable Intermolecular Potential with 4 charges) combine...

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Detalles Bibliográficos
Autores principales: Luis, Daniel Porfirio, García-González, Alcione, Saint-Martin, Humberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4926321/
https://www.ncbi.nlm.nih.gov/pubmed/27240339
http://dx.doi.org/10.3390/ijms17060378

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4926321/
https://www.ncbi.nlm.nih.gov/pubmed/27240339
http://dx.doi.org/10.3390/ijms17060378

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