Comparative experimental electron density and electron localization function study of thymidine based on 20 K X-ray diffraction data

Hübschle, C.B.; Dittrich, B.; Grabowsky, S.; Messerschmidt, M.; Luger, P.

doi:10.1107/S0108768108005776

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 10
The ELF from constrained wavefunction fitting. Isosurfaces are at a value of 0.856 in ELF and are color coded by the number of the 70 ELF basins sorted by their volumes. The cut plane lies in the thymine ring and is mapped by the ELF. The arrow indicates the disynaptic valence basin C3—C4.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 64| Part 3| May 2008| Pages 363-374

doi:10.1107/S0108768108005776

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