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    Article

    Molecular simulations of adsorption of RDX and TATP on IRMOF-1(Be)

    The influence of different sorption sites of isoreticular metal-organic frameworks (IRMOFs) on interactions with explosive molecules is investigated. Different connector effects are taken into account by choos...

    Andrea Michalkova Scott, Tetyana Petrova in Journal of Molecular Modeling (2012)