Figure 5
Fourier density maps [] of the electrostatic potential (e Å−1) or electron density (e Å−3) along selected covalent bonds computed from electron and X-ray dynamic or static structure factors of the carbamazepine crystal, truncated at various resolutions (Å). `Real' values computed directly from TAAM models without passing through the Fourier transformations are given for reference. Values were computed for target atomic positions and thermal parameters. |