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Figure 8
Maximum (blue), minimum (red) and root-mean-square (black/grey) residual densities of HP datasets as functions of pressure, for spherical and TAAM refinements. Dark-coloured bar represents spherical refinement, light-coloured bar represents TAAM refinement, and the lightest-coloured bar with a dark border represents the difference between spherical and multipolar refinements. |
ISSN: 2052-2525
CHEMISTRY | CRYSTENG
Open
access
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