Now showing items 1-2 of 2

    • In Silico Discovery of High Deliverable Capacity Metal-Organic Frameworks 

      Bao, Yi; Martin, Richard L.; Simon, Cory; Haranczyk, Maciej; Smit, Berend; Deem, Michael W. (2015)
      Metal-organic frameworks (MOFs) are actively being explored as potential adsorbed natural gas storage materials for small vehicles. Experimental exploration of potential materials is limited by the throughput of synthetic ...
    • In silico prediction of MOFs with high deliverable capacity or internal surface area 

      Bao, Yi; Martin, Richard L.; Haranczyk, Maciej; Deem, Michael W. (2015)
      Metal–organic frameworks (MOFs) offer unprecedented atom-scale design and structural tunability, largely due to the vast number of possible organic linkers which can be utilized in their assembly. Exploration of this space ...