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Figure 5
Calculated isocontour maps of proton densities at 14 K. (a) Methyl group C2: V3 = 17.6 meV, ur2 = 0.05 Å2, 〈θL2〉 = 0.06 rad2; (b) methyl group C4: V3 = 49 meV, ur2 = 0.05 Å2; (c) methyl group C6: V3 = 11.5 meV, ur2 = 0.05 Å2.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 57| Part 1| February 2001| Pages 36-44
doi:10.1107/S0108768100014695
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