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Figure 9
Deformation charge-density maps of α-CuPc in the (010) plane (a) Total charge density from the refined structure factors of the charge-cloud model minus the charge density for neutral atoms. Contours are at 0.12 e Å−3. Negative contours are broken lines. (b). Ab initio calculated map, performed using the WIEN2K program (Schwarz et al., 2002BB29). Contours are at 0.1 e Å−3. Negative contours are broken lines.

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ISSN: 2053-2733
Volume 59| Part 5| August 2003| Pages 495-505
doi:10.1107/S0108767303016866
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