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Figure 5
Total-energy-framework diagrams for three glycine polymorphs. All diagrams use the same cylinder scale of 50 for energies (i.e. one third of that used in Figs. 2 , 3 and 4 ) and energies with magnitude less than 15 kJ mol−1 have been omitted. CE-B3LYP energies were calculated for room-temperature structures determined by neutron diffraction in all cases (left to right: CSD refcodes GLYCIN19, GLYCIN16 and DOLBIR14). |
IUCrJ
ISSN: 2052-2525
CHEMISTRY | CRYSTENG
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