This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

  • GeometryOptimizations.tar.gz: Thiophene adsorbed on (100) bimetallic surfaces in hollow45 adsorption configurations
  • CleanSurfaces.tar.gz: Clean surface calculations and thiophene gas phase calculations
  • BaderCharges.tar.gz: Corresponding Bader charges of thiophene adsorbed on (100) bimetallic surfaces in hollow45 adsorption configurations
  • README.txt: README file