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 3
Separate cation C₂NS₂C1₂⁺: electrostatic potential (a.u.) mapped on the surface of electron density of 0.001 a.u.; gas-phase calculations, UB3LYP/TZVP; (a) and (b) show alternative views.

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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