Electron Paramagnetic Resonance Study of Gabapentin and Pregabalin Molecules with Density Functional Theory

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dc.contributor.authorTasdemir, Halil Ugur
dc.contributor.authorTurkkan, Ercan
dc.date.accessioned2024-02-23T14:17:06Z
dc.date.available2024-02-23T14:17:06Z
dc.date.issued2018
dc.departmentNEÜen_US
dc.description34th International Physics Congress (IPS) of the Turkish-Physical-Society (TPS) -- SEP 05-09, 2018 -- Konacik, TURKEYen_US
dc.description.abstractThe 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.en_US
dc.description.sponsorshipTurkish Phys Socen_US
dc.identifier.doi10.1063/1.5078894
dc.identifier.isbn978-0-7354-1768-7
dc.identifier.issn0094-243X
dc.identifier.scopus2-s2.0-85057145505en_US
dc.identifier.urihttps://doi.org/10.1063/1.5078894
dc.identifier.urihttps://hdl.handle.net/20.500.12452/12943
dc.identifier.volume2042en_US
dc.identifier.wosWOS:000468358900022en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherAmer Inst Physicsen_US
dc.relation.ispartofTurkish Physical Society 34th International Physics Congress (Tps34)en_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subject[Keyword Not Available]en_US
dc.titleElectron Paramagnetic Resonance Study of Gabapentin and Pregabalin Molecules with Density Functional Theoryen_US
dc.typeConference Objecten_US

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