Combined Grand Canonical Monte Carlo and Molecular Dynamics approach based on a new Na+/CO2 forcefield : Investigation of CO2 adsorption in Faujasite systems - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Microporous and Mesoporous Materials Année : 2007

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hal-00185381 , version 1 (06-11-2007)

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D. F. Plant, Guillaume Maurin, Irena Deroche, P.L. P.L. Llewellyn. Combined Grand Canonical Monte Carlo and Molecular Dynamics approach based on a new Na+/CO2 forcefield : Investigation of CO2 adsorption in Faujasite systems. Microporous and Mesoporous Materials, 2007, 2, pp.440. ⟨10.1016/j.micromeso.2006.07.033⟩. ⟨hal-00185381⟩
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