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The IR frequencies, calculated by DFT with TURBOMOLE V5.10 (29), were uniformly scaled by multiplication with a factor of 1.15.
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The authors acknowledge support from the Cluster of Excellence Unifying Concepts in Catalysis coordinated by the Technische Universität Berlin and funded by the Deutsche Forschungsgemeinschaft. This work is supported by FOM by providing beam time for FELIX. We thank the FELIX staff for their skillful assistance, in particular J. Pluijgers and R. van Buuren, as well as K. Rademann for providing the cluster source. P.G. thanks the International Max Planck Research School Complex Surfaces in Material Science, and J.T.L. thanks the Alexander von Humboldt Foundation for funding
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The authors acknowledge support from the Cluster of Excellence Unifying Concepts in Catalysis coordinated by the Technische Universität Berlin and funded by the Deutsche Forschungsgemeinschaft. This work is supported by FOM by providing beam time for FELIX. We thank the FELIX staff for their skillful assistance, in particular J. Pluijgers and R. van Buuren, as well as K. Rademann for providing the cluster source. P.G. thanks the International Max Planck Research School Complex Surfaces in Material Science, and J.T.L. thanks the Alexander von Humboldt Foundation for funding.
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