Impact of Intrinsic Framework Flexibility for Selective Adsorption of Sarin in Non-Aqueous Solvents using Metal-Organic Frameworks

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript DOI: 10.1039/C9CP06788D, PaperJongwoo Park, Mayank Agrawal, Dorina F. Sava Gallis, Jacob Harvey, Jeffery Greathouse, David Sholl Molecular modeling of mixture adsorption in nanoporous materials can provide insight into the molecular-level details that underlie adsorptive separations. Modeling of adsorption often employs a rigid framework approximation for computational... The content of this RSS Feed (c) The Royal Society of Chemistry
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