All Stories

  1. Everything you always wanted to know about the Debye–Waller factor but were afraid to ask
  2. Multidimensional Rietveld refinement of high-pressure neutron diffraction data of PbNCN
  3. POWTEX visits POWGEN
  4. Arndt Simon zum 80. Geburtstag gewidmet
  5. Preferred selenium incorporation and unexpected interlayer bonding in the layered structure of Sb2Te3− x Se x
  6. Construction of a hybrid clamped cell for high-pressure neutron-diffraction experiments with a large diamond window
  7. Instrumental resolution as a function of scattering angle and wavelength as exemplified for the POWGEN instrument
  8. A density-functional theory approach to the existence and stability of molybdenum and tungsten sesquioxide polymorphs
  9. First-Principles and Monte Carlo Studies of Magnetocaloric Effects
  10. Neutron powder diffraction and theory-aided structure refinement of rubidium and cesium ureate
  11. Two-dimensional Rietveld refinement
  12. A density-functional study on the electronic and vibrational properties of layered antimony telluride
  13. Vibrational properties and bonding nature of Sb2Se3and their implications for chalcogenide materials
  14. Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction
  15. A chemical link between Ge–Sb–Te and In–Sb–Te phase-change materials
  16. Ab initio ORTEP drawings: a case study of N-based molecular crystals with different chemical nature
  17. Pauling's third rule beyond the bulk: chemical bonding at quartz-type GeO2surfaces
  18. Influence of the Ba2+/Sr2+content and oxygen vacancies on the stability of cubic BaxSr1−xCo0.75Fe0.25O3−δ
  19. Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory
  20. Completing a family: LiCN3H4, the lightest alkali metal guanidinate