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Elastic and piezoelectric properties of b-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transitionстатья
- Авторы: Khainovsky M., Boldyreva E., Tsirelson V.
- Журнал: Acta Crystallographica Section B: Structural Science
- Том: 80
- Год издания: 2024
- Издательство: Blackwell Publishing Inc.
- Местоположение издательства: United Kingdom
- Первая страница: 51
- Последняя страница: 63
- DOI: 10.1107/S2052520624000428
- Аннотация: The effect of hydrostatic compression on the elastic and electronic properties of -glycine was studied using a quantum crystallography approach. Theinterrelations between the changes in the microscopic quantum pressure in the electronic continuum, macroscopic compressibility and piezoelectricity wereconsidered. The geometries and energies of hydrogen bonds in the crystal structure of -glycine were considered as functions of pressure before and aftera phase transition into the 0-phase in relation to the mechanism of this phase transition.
- Добавил в систему: Цирельсон Владимир Григорьевич