Published October 31, 2017
| Version v1
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Supplementary Data for "How Strong is the Hydrogen Bond in Hybrid Perovskites?
Description
DFT optimised structures for the hybrid perovskites with the X organic cation and the Y anion:
POSCAR-X-Y-D3
NMRdata.zip with NMR data for the four Zn formate perovskites and the X organic cation:
X.dx
Notes
The authors acknowledge computing support from the UK national supercomputing service (Archer), via membership of the UK Materials Chemistry Consortium which is funded by EPSRC (EP/L000202), and from the University of Bath computing services (Balena).
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NMRdata.zip
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Additional details
Related works
- Is supplement to
- 10.1021/acs.jpclett.7b03106 (DOI)