Is it possible to predict the stability of a crystal structure under the influence of pressure? Quantum chemical study of ibuprofen crystals

The method previously used to detect structural features of piracetam, which can be considered as preconditions for a crystal phase to crystal phase polymorphic transition, was applied to study the structure of ibuprofen, which was found to be stable under the influence of pressure. Analysis of the...

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Veröffentlicht in:	New journal of chemistry 2022-02, Vol.46 (8), p.3856-3865
Hauptverfasser:	Vaksler, Yevhenii A, Idrissi, Abdenacer, Shishkina, Svitlana V
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Sciences Crystal structure Crystallography Energy Ibuprofen Molecular structure Nonsteroidal anti-inflammatory drugs or physical chemistry Pressure Quantum chemistry Shear deformation Structural stability Theoretical and
Online-Zugang:	Volltext
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