forthcoming articles in Foundations of Crystallography Online

The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section A: Foundations of Crystallography.

See also Forthcoming articles in all IUCr journals.


Accepted 25 April 2008

Comparative architecture of octahedral protein cages. I. Indexed enclosing forms

A. Janner

Synopsis: The architecture of four protein cages (bacterio ferritin, human mitochondrial ferritin, sulfur oxygenase reductase and small heat-shock protein) are compared top-to-bottom, starting from polyhedra with vertices at cubic lattice points enclosing the cage down to indexed polyhedral forms of single monomers.


Accepted 21 April 2008

Elastic properties of two-dimensional quasicrystals

H. Grimmer

Synopsis: The Neumann principle is used to derive the restrictions on the phason and phonon-phason coupling parts of the elastic tensor for quasicrystals with crystallographic point groups.


Accepted 20 April 2008

X-ray atomic orbital analysis. I. Quantum-mechanical and crystallographic framework of the method

K. Tanaka, R. Makita, S. Funahashi, K. Takashi and Z. Win

Synopsis: The quantum-mechanical and crystallographic framework and details of the X-ray atomic orbital analysis including the basis functions, the forms of atomic orbitals in the crystal fields of all the point-group symmetries, limitations and the advantages of the method are introduced.


Accepted 15 April 2008

Convergence study of a Schrödinger-equation algorithm and structure-factor determination from the wavefunction

K. Bethanis, P. Tzamalis, A. Hountas and G. Tsoucaris

Synopsis: The upgraded Schrödinger-equation algorithm is tested for many aspects of convergence, an essential prerequisite for practical applications. Structure factors and close to ab initio structure determination for three crystal structures (11, 41 and 110 non-H atoms in the asymmetric unit) are finally obtained by combining the Schrödinger-equation constraint and a least-squares procedure that minimizes the R-moduli factor.




































Copyright © International Union of Crystallography
IUCr Webmaster