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A theoretical study of the dynamics of H 2 desorbing from a Pt(111) surface is reported. This study makes use of the ab initio potential energy surface (PES) of Olsen et al. [J. Chem. Phys. 116 (2002) 3841]. The topological study of the PES by the CHAIN method reveals unambiguously that the transition state (TS) is located at the top of a unique late barrier corresponding to a top site. The...
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