All Stories

  1. Deciphering the driving forces in crystal packing by analysis of electrostatic energies and contact enrichment ratios

    Article • IUCrJ, July 2023, International Union of Crystallography

    Christian Jelsch

  2. A rush to explore protein–ligand electrostatic interaction energy with Charger

    Article • Acta Crystallographica Section D Structural Biology, September 2021, International Union of Crystallography

    Christian Jelsch

  3. Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model

    Article • Journal of Applied Crystallography, July 2021, International Union of Crystallography

    Christian Jelsch

  4. A Hirshfeld surface analysis, crystal structure and physicochemical studies of a new Cu(II) complex with the 1,10-phenanthroline ligand

    Article • Journal of Coordination Chemistry, June 2018, Taylor & Francis

    Cherif Ben Nasr, Christian Jelsch

  5. A method to estimate statistical errors of properties derived from charge-density modelling

    Article • Acta Crystallographica Section A Foundations and Advances, May 2018, International Union of Crystallography

    Christian Jelsch

  6. A theoretical-electron-density databank using a model of real and virtual spherical atoms

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, July 2017, International Union of Crystallography

    Christian Jelsch

  7. Directional O...F halogen bonds

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, March 2017, International Union of Crystallography

    Christian Jelsch

  8. Charge density analysis of metformin chloride, a biguanide anti-hyperglycemic agent

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, January 2017, International Union of Crystallography

    Christian Jelsch, Dr Israel Samuel

  9. Atom interaction propensities of oxygenated chemical functions in crystal packings

    Article • IUCrJ, January 2017, International Union of Crystallography

    Christian Jelsch

  10. Experimental and theoretical charge-density analysis of 1,4-bis(5-hexyl-2-thienyl)butane-1,4-dione: applications of a virtual-atom model

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, January 2016, International Union of Crystallography

    Christian Jelsch

  11. Likelihood of atom–atom contacts in crystal structures of halogenated organic compounds

    Article • IUCrJ, April 2015, International Union of Crystallography

    Christian Jelsch

  12. Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis

    Article • Acta Crystallographica Section D Biological Crystallography, March 2015, International Union of Crystallography

    Christian Jelsch

  13. A polar/πmodel of interactions explains face-to-face stacked quinoid rings: a case study of the crystal of potassium hydrogen chloranilate dihydrate

    Article • CrystEngComm, January 2015, Royal Society of Chemistry

    Christian Jelsch

  14. Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, March 2014, International Union of Crystallography

    Christian Jelsch

  15. The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis

    Article • IUCrJ, February 2014, International Union of Crystallography

    Christian Jelsch