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Metal-organic frameworks (MOFs) simulations

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Are They Better Together or Apart? Understanding Selective Adsorption of Carbon Dioxide and Acetylene in Anion-Pillared Microporous MOFs by Tahereh Azizivahed, Anupom Roy, Bryan E.G. Lucier, Chen-Xi Liang, Shoushun Chen, Mikko Karttunen* and Yining Huang*