Developing orbital-free quantum crystallography: the local potentials and associated partial charge densities

Tsirelson, V.; Stash, A.

doi:10.1107/S2052520621005540

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

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Figure 1
Ammonium hydrooxalate oxalic acid dihydrate (I): the atomic structure and fragment (outlined with a rectangle) containing the bonds which are analyzed in this work.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 77| Part 4| August 2021| Pages 467-477

https://doi.org/10.1107/S2052520621005540

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