journal contribution
posted on 2025-07-30, 12:08 authored by Stefano Pantaleone, Lorenzo Tinacci, Vittorio Bariosco, Albert Rimola, Cecilia Ceccarelli, Piero UgliengoIn the Supplementary Material available online we provide additional information about the accuracy of the DFT method chosen, and on the surface modeling and relative convergence of the binding energy. Moreover, prefactors and TPDs for CH4 and CH3OH adsorbed on MgO (100) are calculated with all the models, in order to check the accuracy of the νvib TST
in comparison with νCampbell.
