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X-ray diffraction data as a source of the vibrational free-energy contribution in polymorphic systems
In this contribution we attempt to answer a general question: can X-ray diffraction data combined with theoretical computations be a source of information about the thermodynamic properties of a given system? Newly collected sets of high-quality multi-temperature single-crystal X-ray diffraction dat...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6608639/ https://www.ncbi.nlm.nih.gov/pubmed/31316801 http://dx.doi.org/10.1107/S2052252519003014 |