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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) combin...

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Bibliographic Details
Main Authors:	Luis, Daniel, García González, Alcione, Saint Martin, Humberto
Format:	Article
Language:	English
Published:	2016
Subjects:	QD Química
Online Access:	http://eprints.uanl.mx/14794/1/29.pdf

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