We present the method of theoretical calculations of the Raman intensities and the simulated Raman spectra of platinum(II) complexes. Theoretical Raman spectra of the anticancer agents: cisplatin (1), carboplatin (2), cis-[Pt(orotato)(NH3)(2)] (3), cis-[PtCl2(NH3)(2-picoline)], ZD0473 (4), and the two transient species of 4 (the hydrolysis products) were calculated by density functional mPWIPW method with several basis sets. For comparison, the experimental Raman spectra of compounds 1-3 were measured. The clear-cut assignment of the Pt-ligand vibrations in the Raman spectra of the investigated compounds has been made on the basis of the calculated potential energy distribution. (C) 2004 Elsevier B.V. All rights reserved.