Tasdemir, Halil UgurTurkkan, Ercan2024-02-232024-02-232017978-0-7354-1483-90094-243Xhttps://doi.org/10.1063/1.4976363https://hdl.handle.net/20.500.12452/1293432nd International Physics Congress of Turkish-Physical-Society (TPS) -- SEP 06-09, 2016 -- Bodrum, TURKEY6-Mercaptopurine is important antineoplastics agent and it is used for immuno suppressive and anti inflammatory. Experimental EPR parameters of 6-Mercaptopurine molecules powder were studied in the literature. The aim of this study EPR parameters of 6 Mercaptopurine molecules were calculated with theoretical calculations and define the possible radicals of 6 Mercaptopurine molecules. Firstly the X-ray structure of 6-Mercaptopurine molecules were found in the literature (1). EPR parameters and possible radicals of 6 Mercaptopurine molecules were calculated from this X-ray structure. Possible radicals of gamma-irradiated 6-Mercaptopurine molecules were constituted. EPR parameters of possible radicals were calculated with 1331XP/6-31.1++ G (d,p) basis set in MT methods for 6 Mercaptopurine molecules.eninfo:eu-repo/semantics/closedAccess[Keyword Not Available]Conference Object18152-s2.0-85016081826WOS:00043520510001910.1063/1.4976363