Quantitatively Predicting Impact of Structural Flexibility on Molecular Diffusion in Small Pore Metal–Organic Frameworks—A Molecular Dynamics Study of Hypothetical ZIF-8 Polymorphs

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Han, Chu, Yang, Yuhan, Sholl, David S.. 2020-08-20. Quantitatively Predicting Impact of Structural Flexibility on Molecular Diffusion in Small Pore Metal–Organic Frameworks—A Molecular Dynamics Study of Hypothetical ZIF-8 Polymorphs. https://doi.org/10.1021/acs.jpcc.0c05942

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