Generation 5 calculations are related to mesogens and analytes on metal oxide surfaces. We present our results related to Generation 5 calculations in three sections. The Mesogen Pages section summarizes the calculated binding free energy of mesogens with the corresponding experimental results. The Analyte Pages section summarizes the calculated binding energy of analytes. The Analyte Analysis Pages section summarizes the calculated displacement energy of analytes with the corresponding experimental results. Current results primarily focus on the binding of mesogens to metal salt surfaces as a response to an oxidizing gas transforming the surface. The analyte page and analyte analysis page will be filled in as work is performed to calculate displacement energies of analytes binding to a metal salt surface. Details of the computational and experimental results can be found here: 10.1039/D1TC00544H