Ring Polymer Molecular Dynamics Rates for Hydrogen Recombinative Desorption on Pt (111)

L Zhang, F Nitz, D Borodin, AM Wodtke… - Precision …, 2025 - ACS Publications
The ring polymer molecular dynamics (RPMD) rate theory, which is capable of handling
nuclear quantum effects such as zero-point energy and tunneling, is applied to the …