All Stories

  1. Martensite stabilization in shape memory alloys – Experimental evidence for short-range ordering
  2. Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment
  3. Structural studies of P-type ATPase–ligand complexes using an X-ray free-electron laser
  4. Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction
  5. Effects of self-seeding and crystal post-selection on the quality of Monte Carlo-integrated SFX data
  6. Anisotropic oxide ion conduction in melilite intermediate temperature electrolytes
  7. A combined single crystal neutron/X-ray diffraction and solid-state nuclear magnetic resonance study of the hybrid perovskites CH3NH3PbX3 (X = I, Br and Cl)
  8. Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate
  9. ChemInform Abstract: Crystal Structure of Magnesium Selenate Heptahydrate, MgSeO4·7H2O, from Neutron Time-of-Flight Data.
  10. Crystal structure of magnesium selenate heptahydrate, MgSeO4·7H2O, from neutron time-of-flight data
  11. An improved method for calibrating time-of-flight Laue single-crystal neutron diffractometers
  12. Temperature and Frequency Dependence of Electric Field-Induced Phase Transitions in PMN-0.32PT
  13. Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole
  14. Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E–H bond activation chemistry
  15. The crystal structure and magnetic properties of a Zintl phase EuIrIn4: the first member of the Eu–Ir–In family
  16. Hydrogen-bond structure and anharmonicity in croconic acid
  17. Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments
  18. Crystal Structure and Magnetic Properties of Indium Flux Grown EuAu 2 In 4 and EuAuIn 4
  19. ChemInform Abstract: MgSO4·11H2O and MgCrO4·11H2O Based on Time-of-Flight Neutron Single-Crystal Laue Data.
  20. ChemInform Abstract: New Structure Type in the Mixed-Valent Compound YbCu4Ga8.
  21. A (3 + 3)-Dimensional “Hypercubic” Oxide-Ionic Conductor: Type II Bi2O3–Nb2O5
  22. Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone
  23. MgSO4·11H2O and MgCrO4·11H2O based on time-of-flight neutron single-crystal Laue data
  24. New Structure Type in the Mixed-Valent Compound YbCu 4 Ga 8
  25. Structural and theoretical studies of intermolecular dihydrogen bonding in [(C6F5)2(C6Cl5)B]–H⋯H–[TMP]
  26. Crystal structure and physical properties of indium flux grown RE2AuSi3 (RE = Eu, Yb)
  27. Hydrogen Bonding in the Organic Ferroelectric Croconic Acid: Insights from Experiment and First-Principles Modelling
  28. Differences in Charge Density Distribution and Stability of Two Polymorphs of Benzidine Dihydrochloride
  29. Uranium and Thorium Hydride Complexes as Multielectron Reductants: A Combined Neutron Diffraction and Quantum Chemical Study
  30. Helical scattering signatures of strain and electronic textures in YbFe 2 O 4 from three-dimensional reciprocal-space imaging
  31. Dimethylamine borane dehydrogenation chemistry: syntheses, X-ray and neutron diffraction studies of 18-electron aminoborane and 14-electron aminoboryl complexes
  32. Cover Picture: The Structure of Water in p-Sulfonatocalix[4]arene (Chem. Eur. J. 37/2011)
  33. The Structure of Water in p-Sulfonatocalix[4]arene
  34. Boron–Boron σ-Bond Formation by Two-Electron Reduction of a H-Bridged Dimer of Monoborane
  35. Variable temperature neutron diffraction studies of single crystals of LiND2
  36. Mechanism of proton transfer in the strong OHN intermolecular hydrogen bond
  37. Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine
  38. Insights into Metal Borohydride and Aluminohydride Bonding: X-Ray and Neutron Diffraction Structures and a DFT and Charge Density Study of [Na(15-crown-5)][EH 4 ] (E = B, Al)
  39. Charge Densities of Two Polymorphs of Hydrated 1,8-Bis(dimethylamino)naphthalene Hydrochloride—Similarities and Differences
  40. ChemInform Abstract: Selective Substitution of Cr in CaFe4As3 and Its Effect on the Spin Density Wave.
  41. Selective Substitution of Cr in CaFe 4 As 3 and Its Effect on the Spin Density Wave
  42. Development and Loss of Ferromagnetism Controlled by the Interplay of Ge Concentration and Mn Vacancies in Structurally Modulated Y 4 Mn 1− x Ga 12− y Ge y
  43. ChemInform Abstract: Formation of Isomorphic Ir3+ and Ir4+ Octamers and Spin Dimerization in the Spinel CuIr2S4.
  44. Tuning Proton Behavior in a Ternary Molecular Complex
  45. Accelerated computation of diffuse scattering patterns and application to magnetic neutron scattering
  46. Evidence of macroscopically entangled protons in a mixed isotope crystal of KH p D 1− p CO 3
  47. Stability and cooperativity of hydrogen bonds in dihydroxybenzoic acids
  48. Experimental and Theoretical Charge Density Study of Polymorphic Isonicotinamide−Oxalic Acid Molecular Complexes with Strong O···H···N Hydrogen Bonds
  49. ChemInform Abstract: Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9.
  50. Neutron diffuse scattering study of CaTiSiO5at room temperature
  51. Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9
  52. To Flip or Not To Flip? Assessing the Inversion Barrier of the Tetraphenylene Framework with Enantiopure 2,15-Dideuteriotetraphenylene and 2,7-Dimethyltetraphenylene
  53. Temperature-Dependent Single-Crystal Neutron Diffraction Study of the Strong OHN Hydrogen Bond in Pyridinium 2,4-Dinitrobenzoate
  54. Neutron Diffraction Studies on a 4-Coordinate Hydrogen Atom in an Yttrium Cluster
  55. The Macroscopic Quantum Behavior of Protons in the KHCO3 Crystal: Theory and Experiments
  56. A neutron diffraction study of macroscopically entangled proton states in the high temperature phase of the KHCO 3 crystal at 340 K
  57. Disorder in pentachloronitrobenzene, C6Cl5NO2: a diffuse scattering study
  58. Towards proton transfer in hydrogen bonded molecular complexes: joint experimental and theoretical modelling and an energy scale for polymorphism
  59. Proton transfer across hydrogen bonds: From reaction path to Schrödinger's cat
  60. Experimental verification of the simulated performance of a compact supermirror focusing device
  61. Imaging crystallographic phases using time-of-flight neutron diffraction
  62. Ordering on geometrically frustrating lattices: The perspective of TOF neutron crystallography
  63. Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium–cyanurate system
  64. Accurate molecular structures and hydrogen bonding in two polymorphs of ortho-acetamidobenzamide by single-crystal neutron diffraction
  65. SXD – the single-crystal diffractometer at the ISIS spallation neutron source
  66. Macroscopic quantum tunnelling of protons in the KHCO3 crystal
  67. High-pressure polymorphism in L-cysteine: the crystal structures of L-cysteine-III and L-cysteine-IV
  68. Macroscopic quantum entanglement and ‘super-rigidity’ of protons in the KHCO 3 crystal from 30 to 300 K
  69. Structural Response to Local Charge Order in Underdoped but Superconducting La 2-x (Sr,Ba) x CuO 4
  70. Formation of isomorphic Ir3+ and Ir4+ octamers and spin dimerization in the spinel CuIr2S4