Fig. 7. Reaction probabilities computed86 with SRP-DFT for D2 + Pt(111) are compared with experimental values.87 The green symbols indicate at which interpolated collision energies measured sticking probabilities would be obtained for values equal to those computed with theory. The numbers indicate the distance (in kJ mol−1) of the corresponding points on the interpolated experimental curve to the points computed with dynamics along the collision energy axis. Reprinted from E. N. Ghassemi, M. Wijzenbroek, M. F. Somers, and G. J. Kroes, Chemically accurate simulation of dissociative chemisorption of D2 on Pt(111), Chem. Phys. Lett., 2017, 683, 329–335, licensed under CC-BY 4.0.
