| Форма представления | Статьи в российских журналах и сборниках |
| Год публикации | 2025 |
| Язык | английский |
|
Белушкин Александр Владиславович, автор
Савостина Людмила Ивановна, автор
|
|
Arzumanyan Grigory , автор
Chudoba Dorota , автор
Eresko Alexandr , автор
Gergelezhiu Polina , автор
Malakhov Serguey , автор
Mamatkulov Kokhramon , автор
Ponomareva Olga , автор
Raksha Elena , автор
|
| Библиографическое описание на языке оригинала |
Gergelezhiu P. Structure and Dynamics Investigation of Ibuprofen Dimers by DFT Method / P. Gergelezhiu, E. Raksha, L. Savostina, G. Arzumanyan, A. Eresko, S. Malakhov, K. Mamatkulov, O. Ponomareva, A. Belushkinb, D. Chudoba // Physics of Particles and Nuclei Letters. - 2025. - Vol. 2. - No. 5. - p. 1102–1105 |
| Аннотация |
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. |
| Ключевые слова |
structure, dynamics, DFT calculations, jptical spectroscopy |
| Название журнала |
Physics of Particles and Nuclei Letters
|
| Пожалуйста, используйте этот идентификатор, чтобы цитировать или ссылаться на эту карточку |
https://repository.kpfu.ru/?p_id=317186 |
| Файлы ресурса | |
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Полная запись метаданных  |
| Поле DC |
Значение |
Язык |
| dc.contributor.author |
Белушкин Александр Владиславович |
ru_RU |
| dc.contributor.author |
Савостина Людмила Ивановна |
ru_RU |
| dc.contributor.author |
Arzumanyan Grigory |
ru_RU |
| dc.contributor.author |
Chudoba Dorota |
ru_RU |
| dc.contributor.author |
Eresko Alexandr |
ru_RU |
| dc.contributor.author |
Gergelezhiu Polina |
ru_RU |
| dc.contributor.author |
Malakhov Serguey |
ru_RU |
| dc.contributor.author |
Mamatkulov Kokhramon |
ru_RU |
| dc.contributor.author |
Ponomareva Olga |
ru_RU |
| dc.contributor.author |
Raksha Elena |
ru_RU |
| dc.date.accessioned |
2025-01-01T00:00:00Z |
ru_RU |
| dc.date.available |
2025-01-01T00:00:00Z |
ru_RU |
| dc.date.issued |
2025 |
ru_RU |
| dc.identifier.citation |
Gergelezhiu P. Structure and Dynamics Investigation of Ibuprofen Dimers by DFT Method / P. Gergelezhiu, E. Raksha, L. Savostina, G. Arzumanyan, A. Eresko, S. Malakhov, K. Mamatkulov, O. Ponomareva, A. Belushkinb, D. Chudoba // Physics of Particles and Nuclei Letters. - 2025. - Vol. 2. - No. 5. - p. 1102–1105 |
ru_RU |
| dc.identifier.uri |
https://repository.kpfu.ru/?p_id=317186 |
ru_RU |
| dc.description.abstract |
Physics of Particles and Nuclei Letters |
ru_RU |
| dc.description.abstract |
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. |
ru_RU |
| dc.language.iso |
ru |
ru_RU |
| dc.subject |
structure |
ru_RU |
| dc.subject |
dynamics |
ru_RU |
| dc.subject |
DFT calculations |
ru_RU |
| dc.subject |
jptical spectroscopy |
ru_RU |
| dc.title |
Structure and Dynamics Investigation of Ibuprofen Dimers by DFT Method |
ru_RU |
| dc.type |
Статьи в российских журналах и сборниках |
ru_RU |
|
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