All Stories

  1. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to L-alanine, naphthalene and xylitol

    Article • Acta Crystallographica Section A Foundations and Advances, January 2017, International Union of Crystallography

    Dr Anders Østergaard Madsen

  2. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory

    Article • Acta Crystallographica Section A Foundations and Advances, February 2016, International Union of Crystallography

    Dr Anders Østergaard Madsen

  3. A simple approach to estimate isotropic displacement parameters for hydrogen atoms

    Article • Acta Crystallographica Section A Foundations and Advances, January 2015, International Union of Crystallography

    Dr Anders Østergaard Madsen

  4. SHADE3server: a streamlined approach to estimate H-atom anisotropic displacement parameters using periodicab initiocalculations or experimental information

    Article • Journal of Applied Crystallography, November 2014, International Union of Crystallography

    Dr Anders Østergaard Madsen

  5. Anisotropic displacement parameters for molecular crystals from periodic Hartree–Fock and density functional theory calculations

    Article • Acta Crystallographica Section A Foundations of Crystallography, April 2013, International Union of Crystallography

    Dr Bartolomeo Civalleri, Dr Anders Østergaard Madsen

  6. Modeling and Analysis of Hydrogen Atoms

    Article • January 2012, Springer Science + Business Media

    Dr Anders Østergaard Madsen

  7. Understanding Thermodynamic Properties at the Molecular Level: Multiple Temperature Charge Density Study of Ribitol and Xylitol

    Article • The Journal of Physical Chemistry A, July 2011, American Chemical Society (ACS)

    Dr Anders Østergaard Madsen

  8. Modeling and Analysing Thermal Motion in Experimental Charge Density Studies

    Article • January 2011, Springer Science + Business Media

    Dr Anders Østergaard Madsen

  9. Making a Robust Carbon−Cobalt(III) Bond

    Article • Inorganic Chemistry, August 2009, American Chemical Society (ACS)

    Dr Anders Østergaard Madsen

  10. A pH-Metric, UV, NMR, and X-ray Crystallographic Study on Arsenous Acid Reacting with Dithioerythritol

    Article • Inorganic Chemistry, May 2008, American Chemical Society (ACS)

    Dr Anders Østergaard Madsen

  11. Insight into Solid-State Entropy from Diffraction Data

    Article • Angewandte Chemie, November 2007, Wiley

    Dr Anders Østergaard Madsen

  12. Insight into Solid-State Entropy from Diffraction Data

    Article • Angewandte Chemie International Edition, October 2007, Wiley

    Dr Anders Østergaard Madsen

  13. SHADEweb server for estimation of hydrogen anisotropic displacement parameters

    Article • Journal of Applied Crystallography, September 2006, International Union of Crystallography

    Dr Anders Østergaard Madsen

  14. Modeling of the nuclear parameters for H atoms in X-ray charge-density studies

    Article • Acta Crystallographica Section A Foundations of Crystallography, October 2004, International Union of Crystallography

    Dr Anders Østergaard Madsen

  15. A neutron diffraction study of xylitol: derivation of mean square internal vibrations for H atoms from a rigid-body description

    Article • Acta Crystallographica Section B Structural Science, September 2003, International Union of Crystallography

    Dr Anders Østergaard Madsen

  16. The phosphorylation site in double helical amylopectin as investigated by a combined approach using chemical synthesis, crystallography and molecular modeling

    Article • FEBS Letters, April 2003, Wiley

    Dr Anders Østergaard Madsen

  17. (2-Pyridylmethyl)ammonium pyridine-2-carboxylate: the product of oxidative degradation of bis(2-pyridylmethyl)amine

    Article • Acta Crystallographica Section C Crystal Structure Communications, December 2001, International Union of Crystallography

    Dr Anders Østergaard Madsen