Structure Simulation Of Cisplatin Complexes With Single-Walled Carbon Nanotubes And Fullerenol

Structure and energy calculations of modified complexes of single-walled carbon nanotubes and fullerenol C-60(OH)(24) with cisplatin have been performed using the quantum chemical method at the DFT/B3LYP/SV/Lanl2DZ level. The nanotubes were modified with COOH groups at the end and sidewall of the nanotube and cisplatin molecules. The dependence of their structure on the presence of a solvent was established.