Fig. 5

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Representation of one molecular dynamics trajectory (left: side view, right: top view) used to sample the attempt frequencies of desorption. The evolution of the centre of mass of the adsorbate is depicted in blue in the figure. For clarity, we represent a point every 12.5 fs of the trajectory. Acetaldehyde (depicted transparently in the figure) is represented in its configuration at the beginning of the simulation.
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