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Effects of force field selection on the computational ranking of MOFs for CO2 separations

Koc University Digital Collections · Papers
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adsorptioncarbon-dioxidediffusiongashydrogenmetal-organic-frameworksmolecular-dynamics-simulationsprediction
engineering, metal-organic frameworks; molecular-dynamics simulations; carbon-dioxide; capture; adsorption; hydrogen; gas; equilibria; prediction; diffusion
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Record · ID 955332
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