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Residual function surface complexation calculations

Figure 5.3 Residual, R, value for the match of calculated and observed powder X-ray diffraction patterns as a function of displacement for a single atom over a 10 A square grid in an arbitrary structural model. The large number of minima on this two-dimensional surface are combined with similar complexity in all the degrees of freedom...

$Figure 5.3 Residual, R, value for the match of calculated and observed powder X-ray diffraction patterns as a function of displacement for a single atom over a 10 A square grid in an arbitrary structural model. The large number of minima on this two-dimensional surface are combined with similar complexity in all the degrees of freedom...$

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Complex function residue

Complex functions

Function surface

Residual function

Residues function

Surface complex

Surface complexation

Surface functionality

Surfaces calculations

Surfacing function