Developments in the structural science of materials

Recent developments in the structural science of materials and the growing power of computational methods in this field are discussed.

[1]  K. Sugimoto,et al.  Carrier concentration dependence of structural disorder in thermoelectric Sn1−xTe , 2016, IUCrJ.

[2]  H. Sawa.  Importance of diffuse scattering for materials science , 2016, IUCrJ.

[3]  G. Hutchings,et al.  Identification of single-site gold catalysis in acetylene hydrochlorination , 2017, Science.

[4]  Stanley W Botchway,et al.  Molybdenum Speciation and its Impact on Catalytic Activity during Methane Dehydroaromatization in Zeolite ZSM‐5 as Revealed by Operando X‐Ray Methods , 2016, Angewandte Chemie.

[5]  H. Euchner,et al.  Atomic structure and phason modes of the Sc–Zn icosahedral quasicrystal , 2016, IUCrJ.

[6]  Mysteries of icosahedral quasicrystals: how are the atoms arranged? , 2016, IUCrJ.

[7]  Xiaozhou Li,et al.  The application of tailor-made force fields and molecular dynamics for NMR crystallography: a case study of free base cocaine , 2016, IUCrJ.

[8]  M. Wall,et al.  Quantum crystallographic charge density of urea , 2015, IUCrJ.

[9]  M. Schmidt,et al.  The structure of denisovite, a fibrous nanocrystalline polytypic disordered ‘very complex’ silicate, studied by a synergistic multi-disciplinary approach employing methods of electron crystallography and X-ray powder diffraction , 2017, IUCrJ.

[10]  J. Zuo,et al.  Three-dimensional nanostructure determination from a large diffraction data set recorded using scanning electron nanodiffraction , 2016, IUCrJ.

[11]  A. Genoni,et al.  Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation? , 2017, IUCrJ.

[12]  T. Welberry,et al.  Interpretation of diffuse scattering in the high-T c superconductor HgBa2CuO4+δ , 2016, IUCrJ.