Molecular Mobility of Different Forms of Ketoprofen Based on DFT Calculation Data

Molecular Mobility of Different Forms of Ketoprofen Based on DFT Calculation Data

Ketoprofen is a representative of the group of non-steroidal anti-inflammatory drugs widely used in modern medical therapy. The intramolecular dynamics of ketoprofen are of particular importance, since the mobility of its main structural fragments is one of the key factors determining the efficiency...

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Bibliographic Details
Main Authors: Kapitolina A. Logacheva, Alexander V. Belushkin, Polina A. Gergelezhiu, Alexander B. Eresko, Sergey N. Malakhov, Elena V. Raksha, Ludmila I. Savostina, Dorota M. Chudoba
Format: Article
Language:English
Published: MDPI AG 2024-11-01
Series:Chemistry Proceedings
Subjects:
ketoprofen
DFT calculations
intramolecular dynamics
vibrational frequencies
rotational barriers
Online Access:https://www.mdpi.com/2673-4583/16/1/60
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