issue contents
May 2008 issue
research papers
The effect of deuteration is examined by data mining of the Cambridge Structural Database (CSD) for 26 isomorphous and three non-isomorphous pairs. Significant and meaningful changes are found in four and two, respectively, but the changes are less than neutron protein crystallography would be sensitive to.
Using first-principles calculations, it is shown that a monoclinic structure with space group B1a1 is the lowest-energy structure among all the experimentally known structures.
Static and dynamic characteristics of layerwise growth in two-dimensional quasiperiodic Ito–Ohtsuki tilings are studied.
An approach is outlined for X-ray structure refinement using atomic density fragments obtained by Hirshfeld partitioning of quantum-mechanical density fragments. Results are presented for urea and benzene.
Dynamical calculations are given for the X-ray back diffraction (1240) in a monolithic two-plate silicon cavity at photon energy 14.4388 keV, at which 24 beams are simultaneously excited.
New concepts and the principles of residual-density analysis are introduced.
Crystallographic properties of one-, two- and three-dimensional magnetic space groups are presented in a format and content similar to that of International Tables for Crystallography.
The nets of the three-periodic regular polyhedra are identified.
short communications
A monotypic, but not isohedral, simple tiling is described.
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