ABSTRACT
Ab initio calculations were performed for the cis and trans conformers of the diamminedichloroplatinum (II) and diamminedichloropalladium (II) complexes, in order to get some insights on their different behavior (recognized anticancer activity of cis-diamminedichloroplatinum (II) and inactivity of trans- diamminedichloroplatinum (II) and cis-diamminedichloropalladium (II)). The effects of performing zpve correction and simutating the aqueous solution on the hydration energetic profiles and on the cis/trans effect were investigated.
