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Different levels of approximations are assessed, revealing that an active subsystem consisting of two or three molecules leads to results that are converged with respect to the environment contributions.The thermal chemistry of crotonaldehyde on the surface of a polished polycrystalline copper disk was characterized by temperature-programmed desorption (TPD) and reflection-absorption infrared spectroscopy (RAIRS) and contrasted with previous data obtained on a Pt(111) single crystal substrate. A clear difference in the adsorption mode
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