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Structural Properties of Metal-Organic Frameworks at Elevated Thermal Conditions via a Combined Density Functional Tight Binding Molecular Dynamics (DFTB MD) Approach.
Purtscher FRS, Christanell L, Schulte M, Seiwald S, Rödl M, Ober I, Maruschka LK, Khoder H, Schwartz HA, Bendeif EE, Hofer TS. Purtscher FRS, et al. Among authors: bendeif ee. J Phys Chem C Nanomater Interfaces. 2023 Jan 10;127(3):1560-1575. doi: 10.1021/acs.jpcc.2c05103. eCollection 2023 Jan 26. J Phys Chem C Nanomater Interfaces. 2023. PMID: 36721770 Free PMC article.
In-house time-resolved photocrystallography on the millisecond timescale using a gated X-ray hybrid pixel area detector.
Casaretto N, Schaniel D, Alle P, Wenger E, Parois P, Fournier B, Bendeif EE, Palin C, Pillet S. Casaretto N, et al. Among authors: bendeif ee. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2017 Aug 1;73(Pt 4):696-707. doi: 10.1107/S2052520617009234. Epub 2017 Jul 22. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2017. PMID: 28762979
29 results