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Figure 6
Selected QTAIM properties derived from the multipolar refinement for the MetalJet–Photon III (blue), MetalJet–Eiger2 (orange) and IμS 3.0 Ag–Photon III (red) setups. Depicted are the Laplacians along the bond bath for three different atom pairs (top left, top right, bottom left) with marked atom positions and bond critical point (BCP) position. (Bottom centre) The corresponding labelling of the atoms and (bottom right) the integrated Bader charges for selected atoms.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 56| Part 5| October 2023| Pages 1322-1329
https://doi.org/10.1107/S1600576723007215
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