Role of partial charge assignment methods in high-throughput screening of MOF adsorbents and membranes for CO2/CH4 separations

Koc University Digital Collections · Papers

adsorption carbon-dioxide gas materials-science metal-organic-frameworks science-and-technology simulations

chemistry; engineering; science and technology; materials science, metal-organic frameworks; carbon-dioxide; atomic charges; co2 capture; equilibration; simulations; adsorption; gas; potentials; parameters

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Record · ID 955693
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