We present the in silico design of MOFs exhibiting 1-dimensional rod topologies by enumerating MOF-74-type analogs based on the PubChem Compounds database. We simulate the adsorption behavior of CO ₂ in the generated analogs and experimentally validate a novel MOF-74 analog, Mg ₂ (olsalazine).
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Witman et al. (2016) studied this question.
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