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...

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Detalles Bibliográficos
Autores principales: Kofoed, Phillip Miguel, Hoser, Anna A., Diness, Frederik, Capelli, Silvia C., Madsen, Anders Østergaard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Papers
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6608639/
https://www.ncbi.nlm.nih.gov/pubmed/31316801
http://dx.doi.org/10.1107/S2052252519003014

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