Tasdemir, Halil UgurTurkkan, Ercan2024-02-232024-02-232018978-0-7354-1768-70094-243Xhttps://doi.org/10.1063/1.5078894https://hdl.handle.net/20.500.12452/1294334th International Physics Congress (IPS) of the Turkish-Physical-Society (TPS) -- SEP 05-09, 2018 -- Konacik, TURKEYThe conformational analysis was performed using the molecular mechanics method to determine the molecular structure of the Gabapentin and Pregabalin molecules. The most stable structures of Gabapentin and Pregabalin molecules were determined using the combination of the DFT/B3LYP/6-31+ G(d, p) method basis set combination. Four possible radicals were modeled with DFT/B3LYP/6-31+ G(d, p) method and basis set combination for Gabapentin and Pregabalin molecules. Electron Paramagnetic Resonance parameters of Gabapentin and Pregabalin molecules were determined with the same method and basis set combination.eninfo:eu-repo/semantics/closedAccess[Keyword Not Available]Conference Object20422-s2.0-85057145505WOS:00046835890002210.1063/1.5078894