Foundations of Crystallography

 

Acta Cryst. (2005). A61, 159-161  [ doi:10.1107/S0108767305002345 ]

Mario Nardelli (1922-2004)

Online 22 February 2005

 

Acta Cryst. (2005). A61, 162-172  [ doi:10.1107/S0108767304029551 ]

The structure of short-lived excited states of molecular complexes by time-resolved X-ray diffraction

P. Coppens, I. I. Vorontsov, T. Graber, M. Gembicky and A. Y. Kovalevsky

Synopsis: Recent progress in atomic resolution time-resolved synchrotron X-ray diffraction studies of molecular excited states is reviewed. Experimental and computational aspects of the field are discussed. Experimental results are compared with theoretical calculations on the excited state of the isolated species.

Online 22 February 2005

 

Acta Cryst. (2005). A61, 173-184  [ doi:10.1107/S0108767304025358 ]

Clifford algebra approach to the coincidence problem for planar lattices

M. A. Rodríguez, J. L. Aragón and L. Verde-Star

Synopsis: The problem of coincidences between two planar lattices is analyzed using Clifford algebra.

Online 22 February 2005

 

Acta Cryst. (2005). A61, 185-193  [ doi:10.1107/S0108767304027333 ]

Generalized quasiperiodic patterns and superstructures in quasicrystals

A. Yamamoto

Synopsis: Patterns with octagonal and icosahedral symmetries obtained from periodic two-dimensional (2D) 8-grids and three-dimensional (3D) 12-grids by the dual method are shown to be superstructures of the Beenker pattern and the 3D Penrose pattern with the same edge length.

Online 22 February 2005

 

Acta Cryst. (2005). A61, 194-200  [ doi:10.1107/S0108767304033525 ]

Reconstruction of complex single-particle images using charge-flipping algorithm

J. S. Wu and J. C. H. Spence

Synopsis: An iterative method combining the charge-flipping algorithm and the dynamic Gerchberg-Saxton-Fienup algorithm is developed to reconstruct complex exit-wave functions of a non-periodic object.

Online 22 February 2005

 

Acta Cryst. (2005). A61, 201-208  [ doi:10.1107/S0108767304034294 ]

On the algebra of binary codes representing close-packed stacking sequences

E. Estevez-Rams, C. Azanza-Ricardo, J. Martínez García and B. Aragón-Fernández

Synopsis: A systematic use of binary codes derived from the Hägg symbol are used to study close-packed polytypes. Seitz operators are introduced acting over the space of binary codes. Polytype counting problems are reduced to an eigenvector problem in the binary code space. Space groups of monoatomic close-packed polytypes can be seen as a result of the symmetry of the binary codes.

Online 22 February 2005

 

Acta Cryst. (2005). A61, 209-222  [ doi:10.1107/S0108767304034452 ]

The Ewald dynamical diffraction theory - ninety years later

P. Dub and O. Litzman

Synopsis: Diffraction on a crystalline slab is treated as a multiple scattering problem based on the Ewald equations. The two-beam solution for both coplanar and non-coplanar cases valid near and far from Bragg peaks is found and a detailed comparison with results of Laue's theory is performed.

Online 22 February 2005

 

Acta Cryst. (2005). A61, 223-230  [ doi:10.1107/S0108767305001315 ]

A study of charge density in copper

J. Friis, B. Jiang, K. Marthinsen and R. Holmestad

Synopsis: A study of charge density in copper from a combination of quantitative convergent-beam electron diffraction and -ray diffractometry structure factors.

Online 22 February 2005

 

Acta Cryst. (2005). A61, 231-236  [ doi:10.1107/S0108767305002709 ]

Solving non-centrosymmetric two-dimensional crystal structures by dynamic electron diffraction

C. T. Koch

Synopsis: Using dynamic scattering effects to solve the phase problem.

Online 22 February 2005

 

Acta Cryst. (2005). A61, 237-245  [ doi:10.1107/S0108767305002710 ]

Diffraction and imaging from a beam of laser-aligned proteins: resolution limits

J. C. H. Spence, K. Schmidt, J. S. Wu, G. Hembree, U. Weierstall, B. Doak and P. Fromme

Synopsis: The effect of limited alignment of hydrated proteins is considered in a laser-aligned molecular beam on diffraction patterns taken from the beam. A relationship between laser power, temperature and resolution is obtained, and simulations used to demonstrate iterative phasing of the continuous diffraction patterns.

Online 22 February 2005

 

Acta Cryst. (2005). A61, 246-251  [ doi:10.1107/S0108767305003508 ]

Intensity of N-beam X-ray diffraction: kinematical theory for a small crystal

S. Nagao

Synopsis: A simple calculation method of X-ray diffraction intensity in the n-beam case is constructed on the basis of kinematical theory for a small and ideally imperfect crystal. This method is interpreted as an integrated form of the intensity transfer equations proposed by Moon & Shull (1964).

Online 22 February 2005

 

Acta Cryst. (2005). A61, 252-259  [ doi:10.1107/S0108767305003648 ]

Quantitative structure retrieval at atomic resolution

N. L. O'Leary and L. J. Allen

Synopsis: A method is presented to determine the projected potential of a crystal from a single exit-surface wavefunction obtained at atomic resolution under dynamical scattering conditions.

Online 22 February 2005

 

Acta Cryst. (2005). A61, 260-261  [ doi:10.1107/S0108767304029186 ]

Mathematical techniques in crystallography and materials science

Online 22 February 2005

 

Acta Cryst. (2005). A61, 261-262  [ doi:10.1107/S0108767305001285 ]

Crystal structure determination

Online 22 February 2005

 

Acta Cryst. (2005). A61, 262-264  [ doi:10.1107/S0108767305001273 ]

Light is a messenger - the life and science of William Lawrence Bragg

Online 22 February 2005

 

Acta Cryst. (2005). A61, 264  [ doi:10.1107/S0108767304028569 ]

X-ray Compton scattering

Online 22 February 2005

 

Acta Cryst. (2005). A61, 265-299  [ doi:10.1107/S0108767305002394 ]

Report of the Executive Committee for 2003

Online 22 February 2005

 

Acta Cryst. (2005). A61, 300  [ doi:10.1107/S0108767305005131 ]

Ewald Prize awarded to Professor Philip Coppens

Online 22 February 2005