All Stories

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