Behnam Farhang Rik
Department of Inorganic Chemistry, Faculty of Chemistry, Tehran North Branch, Islamic Azad University, Tehran, Iran
[ 1 ] - Evaluation of C60 nano-structure performance as nano-carriers of procarbazine anti-cancer drug using density functional theory methods
The study examined surface adsorption of fullerene C60 with anticancer drug procarbazine in gas and solvent (water) phases using the DFT method. In doing so, the structure of the procarbazine, fullerene and their derivatives were first geometrically optimized in three different configurations with a base set of 6-31 g * and B3LYP hybrid functions. Then, IR calculations, frontier molecular orbit...
نویسندگان همکار