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Cun(r)] has a significant value only in the region of chemisorption and the Fukui function of a cluster is already a good estimate of that of the metal for the region in interaction with AN; hence, this term should be of the same order of magnitude whatever the size of the cluster.
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note
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8(c) As a consequence, the edge atoms would be the preferential sites for chemisorption; however, since these edge atoms are not representative of metal surface atoms, we have not brought AN into an interaction with the edge atoms but rather with the central atoms, that have the same saturation as the actual metal surface atoms. The Fukui function of the cluster near these central atoms is expected to be closer to that of the actual Cu(100) surface.
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