You must login before you can run this tool.
This tool calculates the total energy of adsorbates as they move around a metal organic framework (MOF). The MOFs used for this simulation includes; IRMOF-1, IRMOF-10 and IRMOF-12. The tools allows users the option to select a MOF, a molecule and input temperature and it output an energy histogram as well as the adsorption energy.
National Science Foundation (NSF)
Cite this work
Researchers should cite this work as follows: