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Figure 10
Molecule of 2°AP-β as refined at selected temperatures. Harmonic anisotropic ADPs represented at the 50% probability level. Anharmonic contributions to the total probability distribution function for O1 and O2 are represented as red (peanut-shaped) surfaces and scaled by 1.5 for better visibility. Their long axes indicate the direction of anharmonic oscillations of each atom.

ISSN: 2052-2525