All Stories

  1. Mean weighted residuals reveal systematic overestimation of Bragg intensities in single-crystal diffraction
  2. Two metrics for quantifying systematic errors in diffraction experiments: systematic errors in the variance of the observed intensities and agreement factor gap
  3. Bias caused by a popular weighting scheme
  4. Progress in detection of and correction for low-energy contamination
  5. Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones
  6. Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder
  7. Predicted R-based agreement factors for dynamic crystallography are developed.
  8. An alternative to the goodness of fit
  9. Statistical tests against systematic errors in data sets based on the equality of residual means and variances from control samples: theory and applications
  10. More about systematic errors in charge-density studies
  11. About systematic errors in charge-density studies
  12. New (theoretical) R values
  13. Theoretical AIM and ELI‐D Study of Ammonium Hexahydrohexaborate
  14. Anharmonic Motion in Experimental Charge Density Investigations
  15. Expectation values for integer powers of a Poisson-distributed random number
  16. Response toOn the significance of Bragg reflectionsby Jørgensenet al.
  17. Zwitterionic Si‐C‐Si‐P and Si‐P‐Si‐P Four‐Membered Rings with Two‐Coordinate Phosphorus Atoms
  18. Zwitterionic Si‐C‐Si‐P and Si‐P‐Si‐P Four‐Membered Rings with Two‐Coordinate Phosphorus Atoms
  19. Is there a fundamental upper limit for the significanceI/σ(I) of observations from X-ray and neutron diffraction experiments?
  20. Anharmonic nuclear motion in charge-density studies
  21. On the significance of low- and zero-intensity observations
  22. Schrittweiser Donorbasenaustausch in Anthracenyllithiumverbindungen
  23. Consecutive Donor‐Base Exchange in Anthracenyllithium Compounds
  24. On the effect of neglecting anharmonic nuclear motion in charge density studies
  25. Elektronendichteverteilung in einem Metallaphosphan
  26. Charge Density Distribution in a Metallaphosphane
  27. The first asymmetric organolithium tetramers with simple ether donor bases
  28. Synthesis, structure, and theoretical investigation of amidinato supported 1,4-disilabenzene
  29. Residual Density Analysis
  30. High Yield Access to Silylene RSiCl (R = PhC(NtBu)2) and Its Reactivity toward Alkyne: Synthesis of Stable Disilacyclobutene
  31. Lewis-Base-Stabilized Dichlorosilylene: A Two-Electron σ-Donor Ligand
  32. What is the cause of ghost peaks close to heavy atoms?
  33. Experimental Charge Density Studies of DisorderedN-Phenylpyrrole andN-(4-Fluorophenyl)pyrrole
  34. Solvensgetrennte Ionenpaare und Kontaktionenpaare des Trimethylzinkat‐Stammsystems
  35. Solvent‐Separated and Contact Ion Pairs of Parent Lithium Trimethyl Zincate
  36. Lewis Base Stabilized Dichlorosilylene
  37. Lewis Base Stabilized Dichlorosilylene
  38. Electron Densities of Three B12 Vitamins
  39. Carbanion or Amide? First Charge Density Study of Parent 2‐Picolyllithium
  40. Carbanion oder Amid? Elektronendichteuntersuchung am 2-Picolyllithium-Stammsystem
  41. Elektronendichteuntersuchung der Metall‐Metall‐Bindung im zweikernigen “Borylen”‐Komplex [{Cp(CO)2Mn}2(μ‐BtBu)]
  42. Electron‐Density Investigation of Metal–Metal Bonding in the Dinuclear “Borylene” Complex [{Cp(CO)2Mn}2(μ‐BtBu)]
  43. Foundations of residual-density analysis
  44. Chemical interpretation of molecular electron density distributions
  45. Di(benzothiazol‐2‐yl)phosphanide as a Janus‐Head Ligand to Caesium
  46. The P(bth)2−anion as a Janus head staple between lithium and manganese (bth = benzothiazol-2-yl, C7H4NS)
  47. Ambiguities in the Scattering Tomography for Central Potentials
  48. On the Accuracy of Theoretically and Experimentally Determined Electron Densities of Polar Bonds
  49. Si−E (E = N, O, F) Bonding in a Hexacoordinated Silicon Complex:  New Facts from Experimental and Theoretical Charge Density Studies
  50. Capital, labor, energy and creativity: modeling innovation diffusion