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    Unravelling CO Activation on Flat and Stepped Co Surfaces: A Molecular Orbital Analysis by Rozemarijn D.E. Krösschell (18604265)

    Published 2024
    “…The most important descriptors for activation of the C–O bond are the decrease in electron density in CO’s 1π orbital , the occupation of 2π anti-bonding orbitals and the redistribution of electrons in the 3σ orbital. …”
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