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Figure 1
The change in the electron density of α-oxalic acid dihydrate due to the X-ray constrained fitting procedure. Static electron density difference map between the constrained and the unconstrained Hartree–Fock wavefunctions. Copyright IUCr, from Grimwood & Jayatilaka (2001BB18). Contours are in increments of 0.1 e Å−3, dashed lines are a decrease while solid lines are an increase.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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