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Published in 2017 at "Chemical communications"
DOI: 10.1039/c6cc08940b
Abstract: We present a computational algorithm that can screen through a database of metal-organic framework structures and identify materials that lead to hetero-interpenetration with targeted porous materials. Two MOFs (IRMOF-1 and IRMOF-8) were selected as target…
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Keywords:
computational prediction;
hetero interpenetration;
metal organic;
prediction hetero ... See more keywords