id author title date pages extension mime words sentence flesch summary cache txt wm117m04m2p Gray Laughlin DFT Comparison of Exact and Approximate Free Energy Calculations for Polyatomic Adsorbates 1904 .txt text/plain 131 6 34 Finally, we will quantify the diļ¬€erences in adsorbate free energy approximations by means of direct comparison and by looking at the sensitivity of model results to free energy calculation method. Furthermore, we show the impact of free energy model choice on equilibrium predictions of a catalytic reaction model involving polyatomic adsorbates. cache/wm117m04m2p.txt txt/wm117m04m2p.txt