Electron Paramagnetic Resonance Study of Gabapentin and Pregabalin Molecules with Density Functional Theory
Küçük Resim Yok
Tarih
2018
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Amer Inst Physics
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The 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.
Açıklama
34th International Physics Congress (IPS) of the Turkish-Physical-Society (TPS) -- SEP 05-09, 2018 -- Konacik, TURKEY
Anahtar Kelimeler
[Keyword Not Available]
Kaynak
Turkish Physical Society 34th International Physics Congress (Tps34)
WoS Q Değeri
Scopus Q Değeri
Cilt
2042
