afsharamir/Adsorption_Energy_Calculations
This repository includes output files of conducting DFT calculations for some organic small molecules on pure Pd(111), B2-CuPd-Cu, B2-CuPd-Pd and B2-CuPd@Pd catalysts.
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No issues in this repository yet.
This repository includes output files of conducting DFT calculations for some organic small molecules on pure Pd(111), B2-CuPd-Cu, B2-CuPd-Pd and B2-CuPd@Pd catalysts.
Shell
No issues in this repository yet.