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Gold clusters have aroused great interest in scientific community due to their unusual catalytic properties in a number of industrially important chemical reactions.Through extensive theoretical studies on the geometry structures and energetics of bare and CO-saturated neutral,cationic,and anionic Aun clusters,we have found that the chemisorption of CO molecules leads to significant geometry changes of gold clusters from two- to three-dimensions,even for clusters as small as Au4 +.