Crystal structure or chemical composition of salt–sugar-based metal–organic frameworks: what are the nonlinear optical properties due to?

Marabello, D.; Antoniotti, P.; Benzi, P.; Beccari, F.; Canepa, C.; Cariati, E.; Cioci, A.; Lo Presti, L.

doi:10.1107/S2052520621004637

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 5
Fragment2 of the crystal structure of CaDGgalX (X = Br, I), optimized at the B3LYP level of theory. Dotted lines indicate hydrogen bonds.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 77| Part 4| August 2021| Pages 506-514

https://doi.org/10.1107/S2052520621004637

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