How-to Guides¶ Tools¶ How to generate adsorption complexes Workflows¶ How to generate adsorption complexes Preparing the structure Generating complexes Adsorbate selection Modifying which adsorption complexes are returned Identifying adsorbate complexes Creating Free Energy Diagrams Using the GUI Creating Free Energy Diagrams Programatically Calculating thermodynamic properties Bader Charge Analysis Workflows Thermochemistry