Computer Graphics in the Study of Metal Cluster Compounds

Polynuclear carbonylmetal compounds provide convenient molecular analogues for the reactions occurring at metal surfaces during catalytic processes. Many properties of these cluster compounds are determined by the type and distribution of the ligands covering the metal polyhedral surface. Computer simulated space-filling models of these complicated molecules provide readily assimilated information about the arrangement of surface ligands, and in many cases lead to conclusions not readily deduced from other approaches.

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