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关键词 ADSORPTION（3）
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出版时间
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作者 DE MERAS AS（3）

Molecular Dynamics of CH4/N-2 Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study

FRONTIERS IN CHEMISTRY

VEKEMAN J, FAGINASLAGO N, LOMBARDI A, DE MERAS AS, CUESTA IG, ROSI M

Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations

CHEMPHYSCHEM

WILSON J, FAGINASLAGO N, VEKEMAN J, CUESTA IG, SANCHEZMARIN J, DE MERAS AS

Grand Canonical Monte Carlo Simulations to Determine the Optimal Interlayer Distance of a Graphene Slit-Shaped Pore for Adsorption of Methane, Hydrogen and their Equimolar Mixture

NANOMATERIALS

VEKEMAN J, BAHAMON D, CUESTA IG, FAGINASLAGO N, SANCHEZMARIN J, DE MERAS AS, VEGA LF