All Stories

  1. Studying the hydrogen atom position in the strong-short intermolecular hydrogen bond of pure and 5-substituted 9-hydroxyphenalenones by invariom refinement and ONIOM cluster computations

    Article • Zeitschrift für Kristallographie - Crystalline Materials, June 2020, De Gruyter

    Professor Christoph Janiak, Dr Birger Dittrich, Professor Thomas J J Müller

  2. Aspherical scattering factors forSHELXL– model, implementation and application

    Article • Acta Crystallographica Section A Foundations and Advances, January 2019, International Union of Crystallography

    Dr Birger Dittrich

  3. On avoiding negative electron density in Gram-Charlier refinements of anharmonic motion: the example of glutathione

    Article • Zeitschrift für Kristallographie - Crystalline Materials, September 2018, De Gruyter

    Dr Birger Dittrich

  4. Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, August 2018, International Union of Crystallography

    Dr Birger Dittrich, Prof. Piero Macchi

  5. Charge density studies on methylene blue – a potential anti-Alzheimer agent

    Article • Zeitschrift für Naturforschung B, January 2018, De Gruyter

    Dr Birger Dittrich

  6. Coordination compounds can now be modelled with aspherical scattering factors.

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

    Dr Birger Dittrich

  7. Is there a future for topological analysis in experimental charge-density research?

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

    Dr Birger Dittrich

  8. Invariom modeling of disordered structures: case studies on a dipeptide, an amino acid, and cefaclor, a cephalosporin antibiotic

    Article • Zeitschrift für Kristallographie - Crystalline Materials, January 2016, De Gruyter

    Dr Birger Dittrich

  9. APD-Toolkit and the Invariom+TLS approach for estimating H-ADPs

    Article • Journal of Applied Crystallography, November 2015, International Union of Crystallography

    Dr Birger Dittrich

  10. Accurate bond distances to hydrogen atoms can be obtained by single-crystal XRD

    Article • Nachrichten aus der Chemie, June 2013, Wiley

    Dr Birger Dittrich

  11. ESPs of fluoroquinolone antibiotics - directly after crystallographic refinement

    Article • CrystEngComm, January 2012, Royal Society of Chemistry

    Dr Birger Dittrich

  12. The program MolecoolQt is (more than) a graphical user interface for the charge density program XD

    Article • Journal of Applied Crystallography, November 2010, International Union of Crystallography

    Dr Birger Dittrich

  13. Ladungsdichtestudie von Vitamin B12 (Cyanocobalamin)

    Article • Angewandte Chemie, April 2007, Wiley

    Dr Birger Dittrich

  14. Ein einfacher Zugang zu asphärischen Elektronendichten mithilfe von Invariomen

    Article • Angewandte Chemie, May 2004, Wiley

    Dr Birger Dittrich

  15. Book chapter introducing charge density research and invariom refinement

    Article • Wiley

    Dr Birger Dittrich