Foundations of residual-density analysis

• Grid-free quantum crystallographic refinement using unbiased analytic atomic form factors from density fitting

  2026 Zeitschrift für Kristallographie - Crystalline Materials article Chemistry Crystal structures of chemical compounds Open access

  0

  citations
• Linear-scaling aspherical crystallographic refinement of proteins: a case study for crambin and rubredoxin

  2025 IUCrJ article Materials Science Enzyme Structure and Function Open access

  2

  citations
• Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival

  2025 Journal of Applied Crystallography article Chemistry Crystal structures of chemical compounds Open access

  2

  citations
• The use of effective core potentials in Hirshfeld atom refinement: making quantum crystallography faster in NoSpherA2

  2025 Journal of Applied Crystallography article Chemistry Crystal structures of chemical compounds Open access

  3

  citations
• Experimental Spin State Determination of Iron(II) Complexes by Hirshfeld Atom Refinement

  2024 Chemistry - A European Journal article Chemistry Crystal structures of chemical compounds Open access

  9

  citations
• Probing the Isolobal Relation between Cp′′′NiP3 and White Phosphorus by Experimental Charge Density Analysis

  2024 Chemistry - A European Journal article Chemistry Synthesis and characterization of novel inorganic/organometallic compounds Open access

  7

  citations
• Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in Olex2

  2024 Journal of Applied Crystallography article Materials Science X-ray Diffraction in Crystallography Open access

  8

  citations

7 results