|
Figure 7
Atomic displacement ellipsoid plot of xylitol for (top) ReCrystal/0.8 Å (def2-TZVP/PBE) and (bottom) HAR [NoSpherA2/def2-TZVP/PBE/ORCA (version 5.0.3)]; ellipsoid representation at the 50% probability level. |
ISSN: 2052-2525
MATERIALS | COMPUTATION
Open
access
