On the temperature dependence of H-Uiso in the riding hydrogen model

Lübben, J.; Volkmann, C.; Grabowsky, S.; Edwards, A.; Morgenroth, W.; Fabbiani, F.P.A.; Sheldrick, G.M.; Dittrich, B.

doi:10.1107/S2053273314010626

Acta Crystallographica Section A
Acta Crystallographica
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Figure 4
Temperature dependence of the U_iso/U_eq ratios obtained by TLS+ONIOM and neutron diffraction. (a) Internal vibrations from MO/MO ONIOM calculations and TLS fit against ADPs obtained by invariom refinement. (b) Refinement against neutron diffraction data.

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ISSN: 2053-2733

Volume 70| Part 4| May 2014| Pages 309-316

doi:10.1107/S2053273314010626

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