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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Fractional statistical theory of adsorption of polyatomics

J L Riccardo1, A J Ramirez-Pastor, F Romá

  • 1Departamento de Física, Laboratorio de Ciencias de Superficies y Medios Porosos, Universidad Nacional de San Luis, CONICET, Chacabuco 917, 5700 San Luis, Argentina.

Physical Review Letters
|November 5, 2004
PubMed

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