Metal-organic frameworks (MOFs) simulations

Data related to

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*

• Two short movies (available directly from the directory movies as well):
  • SIFSIX-1-Cu at 298 K
  • SIFSIX-3-Cu at 298 K
• Simulation data will be made available upon acceptance of the paper.