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Adsorption Energy Calculator
Tools | 23 Aug 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Calculate the total energy of adsorbates as they move around a metal organic framework
Computational Catalysis with DFT
Tools | 01 Aug 2018 | Contributor(s):: Kevin Greenman, Peilin Liao
DFT tool for studying heterogeneous catalysis