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      Excavating hidden adsorption sites in metal-organic frameworks using rational defect engineering

      Nature Communications
      Springer Nature

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          DREIDING: a generic force field for molecular simulations

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            Metal-organic frameworks: opportunities for catalysis.

            The role of metal-organic frameworks (MOFs) in the field of catalysis is discussed, and special focus is placed on their assets and limits in light of current challenges in catalysis and green chemistry. Their structural and dynamic features are presented in terms of catalytic functions along with how MOFs can be designed to bridge the gap between zeolites and enzymes. The contributions of MOFs to the field of catalysis are comprehensively reviewed and a list of catalytic candidates is given. The subject is presented from a multidisciplinary point of view covering solid-state chemistry, materials science, and catalysis.
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              Transferable Potentials for Phase Equilibria. 1. United-Atom Description ofn-Alkanes

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                10.1038/s41467-017-01478-4

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