A topological model for predicting adsorption energies of polycyclic aromatic hydrocarbons on late-transition metal surfaces
Zhao‐Bin Ding, Matteo Tommasini, Matteo Maestri · Reaction Chemistry & Engineering · 2018
-coordination. These results show that the principles of coordination chemistry can facilitate the modeling of processes at metal surfaces, and pave the way to systematically model reactions involving complex adsorbates at surfaces.