Liberato De Caro

TL;DR: SIR2004 as mentioned in this paper is the evolution of the SIR2002 program, which is devoted to the solution of crystal structures by direct and Patterson methods, and it is able to solve ab initio both small/medium-size structures as well as macromolecules (up to 2000 atoms in the asymmetric unit).

TL;DR: Is a suite of computer programs devoted to protein crystal structure determination by X-ray crystallography, which automatically uses the above information to phase protein reflections, and may succeed even with structures with up to 6000 non-H atoms in the asymmetric unit.

TL;DR: In this paper, the authors discuss X-ray scattering/diffraction techniques to analyze inorganic nanomaterials under different conditions: dispersed in solutions, dried in powders, embedded in matrix, and deposited onto surfaces or underneath them.

TL;DR: This approach, which does not require spherical and chromatic aberration correction, can reveal the location of light atoms (oxygen) in the crystal lattice and finds that the unit cell in nanoscale TiO(2) is subtly different to that in the corresponding bulk.

TL;DR: A novel procedure is presented which from an approximate electron-density map extrapolates the moduli and phases of non-measured reflections beyond and behind the experimental resolution limit, and the phase estimates of the observed reflections are subsequently improved and the interpretability of the corresponding electron- density map increases.