Электронный каталог

Статья

Gergelezhiu, P.
Structure and Dynamics Investigation of Ibuprofen Dimers by DFT Method : Abstract / P.Gergelezhiu, E.Raksha, L.Savostina, G.Arzumanyan, A.Eresko, S.Malakhov, K.Mamatkulov, O.Ponomareva, A.Belushkin, D.Chudoba // Физика элементарных частиц и атомного ядра. Письма. – 2025. – Т. 22, № 5. – P. 1012. – URL: https://www1.jinr.ru/Pepan_letters/panl_2025_5/38_Gergelezhiu_ann_utf.pdf.

Ibuprofen is a representative of a group of nonsteroidal anti-inflammatory drugs widely used in modern medicine. This article presents the results of the ibuprofen structure and dynamics investigations using IR and Raman spectroscopy in combination with quantum chemical calculations in the DFT approximation. Ibuprofen R–S dimer cluster model was used for calculations. Discussion is focused on the key parameters of the molecular geometry of the cyclic R–S dimer and vibrations of the H-bonded carboxylic COOH group of ibuprofen



Спец.(статьи,препринты) = С 44 г - Физико-химические методы анализа элементов. Анализ с помощью ядерных методов
Спец.(статьи,препринты) = С 350 - Приложения методов ядерной физики в смежных областях
ОИЯИ = ОИЯИ (JINR)2025