 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
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![[Figure 2]](gw5017fig2mag.jpg)
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Figure 2
(a) Three-dimensional deformation electron-density map as rapidly obtained from fast Fourier transform by the program molecoolQt (Hübschle & Dittrich, 2011  ) with turquoise/orange isosurfaces of ±0.056 e Å−3. The molecular dipole moment vector from invariom refinement (red color) is compared with the theoretical DFT result (green, see text), both with a scale of 0.5 Debye per Å. (b) Electrostatic potential of ceftazidime mapped on the 0.0067 e Å−3 electron-density isosurface. |
![[Figure 2]](gw5017fig2.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
