All Stories

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