Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study

Zhurova, E.A.; Tsirelson, V.G.; Zhurov, V.V.; Stash, A.I.; Pinkerton, A.A.

doi:10.1107/S0108768106008329

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

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Figure 3
Static deformation density in the C1—O1—C2 plane: (a) experimental (I), (b) theoretical (IV). Contour interval 0.05 e Å⁻³. Positive contours are solid, negative contours are dashed and the zero line is dash–dotted.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 62| Part 3| May 2006| Pages 513-520

doi:10.1107/S0108768106008329

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