Comparison of potential energies along a variety of pathways calculated for CO dissociation on various sites of the Fe(100) surface indicates that a four-fold site provides the lowest energy pathway and suggests the generalizations that multicentre bonding is favoured and that pathways which have the C and O atoms bonded to the same surface atoms are unfavourable because they are high energy pathways.
G. Blyholder and M. Lawless, J. Chem. Soc., Chem. Commun., 1990, 632 DOI: 10.1039/C39900000632
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