Bonding features in Appel's salt from the orbital-free quantum crystallographic perspective

Bartashevich, E.; Stash, A.; Yushina, I.; Minyaev, M.; Bol'shakov, O.; Rakitin, O.; Tsirelson, V.

doi:10.1107/S2052520621005928

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

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Figure 1
Topological bond orders in Appel's salt cation. Top line is the estimation based on experimental electron density, the gas-phase calculations are given in italics.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 77| Part 4| August 2021| Pages 478-487

https://doi.org/10.1107/S2052520621005928

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