Anders Østergaard Madsen

Anders Østergaard Madsen

Associate Professor


  1. 2001
  2. Published

    (2-pyridylmethyl)ammonium pyridine-2-carboxylate: The product of oxidative degradation of bis(2-pyridylmethyl)amine

    Døssing, Anders Rørbæk, Skands, M. C. & Madsen, Anders Østergaard, 1 Dec 2001, In: Acta Crystallographica Section C: Crystal Structure Communications. 57, 12, p. 1460-1461 2 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. 2002
  4. Published

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

    Døssing, Anders Rørbæk, Skands, M. C. & Madsen, Anders Østergaard, 2002, In: Acta Crystallographica. Section C: Crystal Structure Communications. 57, p. 1460-1461

    Research output: Contribution to journalJournal articleResearchpeer-review

  5. 2003
  6. Published

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

    Madsen, Anders Østergaard, Mason, S. & Larsen, Sine, 2003, In: Acta Crystallographica. Section B: Structural Science. 59, p. 653-663

    Research output: Contribution to journalJournal articleResearchpeer-review

  7. Published
  8. 2004
  9. Published

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

    Madsen, Anders Østergaard, Osholm, H., Flensburg, C., Stewart, R. F. & Larsen, Sine, 2004, In: Acta Crystallographica. Section A: Foundations of Crystallography. 60, 6, p. 550-561

    Research output: Contribution to journalJournal articleResearchpeer-review

  10. 2005
  11. Published

    Structure of the cross-ß spine of amyloid-like fibrils

    Nelson, R., Sawaya, M. R., Balbirnie, M., Madsen, Anders Østergaard, Riekel, C., Grothe, R. & Eisenberg, D., 2005, In: Nature. 435, 7043, p. 773-778 6 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  12. Published

    The structure from microcrystals of the cross-ß spine of amyloid fibrils

    Eisenberg, D., Riekel, C., Nelson, R., Sawaya, M. R., Balbirnie, M. & Madsen, Anders Østergaard, 2005, In: ESRF Highlights. 2005, p. 61-63 3 p.

    Research output: Contribution to journalJournal articleResearch

  13. 2006
  14. Published

    SHADE web server for estimation of hydrogen anisotropic displacement parameters

    Madsen, Anders Østergaard, 2006, In: Journal of Applied Crystallography. 39, 5, p. 757-758 2 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  15. Published

    SHADE web server: http://www.shade.ki.ku.dk

    Madsen, Anders Østergaard, 2006

    Research output: Non-textual formComputer programmeResearch

  16. Published

    The structural biology of protein aggregation diseases: fundamental questions and some answers

    Eisenberg, D., Nelson, R., Sawaya, M. R., Balbirnie, M., Sambashivan, S., Ivanova, M. I., Madsen, Anders Østergaard & Riekel, C., 2006, In: Accounts of Chemical Research. 39, 9, p. 568-575 8 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  17. 2007
  18. Published

    Insight into Solid-State Entropy from Diffraction Data

    Madsen, Anders Østergaard & Larsen, Sine, 2007, In: Angewandte Chemie - International Edition. 46, 45, p. 8609-8613

    Research output: Contribution to journalJournal articleResearchpeer-review

  19. Published

    X-ray crystal structure of a highly functionalized thiophene as a new backbone amide linker for solid-phase peptide synthesis. Relationship between crystal structure and reactivity

    Hammershøj, P., Jessing, M., Madsen, Anders Østergaard, Jensen, K. J., Christensen, Jørn Bolstad & Boas, U., 2007, In: International Journal of Peptide Research and Therapeutics. 13, 1-2, p. 209-212

    Research output: Contribution to journalJournal articleResearchpeer-review

  20. Published

    Atomic structures of amyloid cross-β spines reveal varied steric zippers

    Sawaya, M. R., Sambashivan, S., Nelson, R., Ivanova, M. I., Sievers, S. A., Apostol, M. I., Thompson, M. J., Balbirnie, M., Wiltzius, J. J. W., McFarlane, H. T., Madsen, Anders Østergaard, Riekel, C. & Eisenberg, D., 24 May 2007, In: Nature. 447, 7143, p. 453-457 5 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  21. 2008
  22. Published

    A pH-metric, UV, NMR, and X-ray crystallographic study on arsenous acid reacting with dithioerythritol

    Kolozsi, A., Lakatos, A., Galbács, G., Madsen, Anders Østergaard, Larsen, Erik & Gyurcsik, B., 2008, In: Inorganic Chemistry. 47, 9, p. 3832-3840 9 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  23. Published

    Estimated H-atom anisotropic displacement parameters: a comparison between different methods and with neutron diffraction results

    Munshi, P., Madsen, Anders Østergaard, Spackman, M. A., Larsen, Sine & Destro, R., 2008, In: Acta Crystallographica. Section A: Foundations of Crystallography. A64, p. 465-75 10 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  24. Published

    Low-temperature crystal structure evolution of (Na,Ca)(Cr,Mg)Si2O6 pyroxene

    Nestola, F., Madsen, Anders Østergaard, Tribaudino, M., Balic Zunic, Tonci, Ohashi, H., Secco, L. & Dal Negro, A., 2008, In: Mineralogical Magazine. 72, 3, p. 809-816 8 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  25. 2009
  26. Published

    Making a robust carbon-cobalt(III) bond

    Larsen, Erik, Madsen, Anders Østergaard, Kofod, P. & Song, Y., 2009, In: Inorganic Chemistry. 48, 15, p. 7159-7164 6 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  27. Published

    Synthesis and Characterization of Tetrathiafulvalene-Substituted Di- and Tetraethynylethenes with p-Nitrophenyl Acceptors

    Andersson, A. S., Kerndrup, L., Madsen, Anders Østergaard, Kilså, K., Nielsen, Mogens Brøndsted, La Porta, P. R. & Biaggio, I., 2009, In: Journal of Organic Chemistry. 74, p. 375-382

    Research output: Contribution to journalJournal articleResearchpeer-review

  28. 2011
  29. Published

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

    Madsen, Anders Østergaard, Mattson, R. & Larsen, Sine, 2011, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 115, p. 7794–7804

    Research output: Contribution to journalJournal articleResearchpeer-review

  30. 2012
  31. Published

    Large area, soft crystalline thin films of N,NI,NII-trialkyltriazatriangulenium salts with homeotropic alignment of the discotic cores in a lamellar lattice

    Sørensen, Thomas Just, Hildebrandt, C. B., Elm, J., Andreasen, J. W., Madsen, Anders Østergaard, Westerlund, A. R. F. & Laursen, Bo Wegge, 2012, In: Journal of Materials Chemistry. 22, 11, p. 4797-4805 9 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  32. Published

    Modeling and analysing thermal motion in experimental charge density studies

    Madsen, Anders Østergaard, 2012, Modern charge-density analysis. Gatti, C. & Macchi, P. (eds.). Springer, p. 133-163 31 p.

    Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

  33. Published

    Modeling and analysis of hydrogen atoms

    Madsen, Anders Østergaard, 2012, Electron density and chemical bonding I: experimental charge density studies. Stalke, D. (ed.). Springer, p. 21-52 32 p. (Structure and Bonding, Vol. 146).

    Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

  34. 2013
  35. Published

    Anisotropic displacement parameters for molecular crystals from periodic Hartree-Fock and density functional theory calculations

    Madsen, Anders Østergaard, Civalleri, B., Ferrabone, M., Pascale, F. & Erba, A., 2013, In: Acta Crystallographica. Section A: Foundations of Crystallography. 69, p. 309-321 13 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  36. Published

    Superarming of glycosyl donors by combined neighboring and conformational effects

    Heuckendorff, M., Premathilake, H. D., Pornsuriyasak, P., Madsen, Anders Østergaard, Pedersen, Christian Marcus, Bols, Mikael & Demchenko, A., 2013, In: Organic Letters. 15, 18, p. 4904-4907 4 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  37. Published

    Synthesis and fluorescence properties of DMCX+-a stable oxygen-bridged [4]helicenium dye

    Sørensen, Thomas Just, Madsen, Anders Østergaard & Laursen, Bo Wegge, 2013, In: Tetrahedron Letters. 54, 6, p. 587-590 4 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  38. 2014
  39. Published

    Bromosubstituted norbornadienes and their reversible photolytic transformation to quadricyclanes

    Hammershøj, P., Sørensen, Thomas Just, Madsen, Anders Østergaard, Nielsen, M. M. & Bechgaard, K., 2014, In: ScienceOpen Research. Section: SOR-CHEM, 7 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  40. Published

    Combined experimental and computational studies of pyrazinamide and nicotinamide in the context of crystal engineering and thermodynamics

    Jarzembska, K. N., Hoser, A. A., Kamiński, R., Madsen, Anders Østergaard, Durka, K. & Woźniak, K., 2014, In: Crystal Growth & Design. 14, 7, p. 3453-3465 13 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  41. Published

    CuAAC and RuAAC with alkyne-functionalised Dihydroazulene photoswitches and determination of Hammett σ-constants for Triazoles

    Lissau, H. S., Broman, S. L., Jevric, M., Madsen, Anders Østergaard & Nielsen, Mogens Brøndsted, 2014, In: Australian Journal of Chemistry. 67, 3, p. 531-534 4 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  42. Published

    Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde

    Lisbjerg, M., Jessen, B. M., Rasmussen, B., Nielsen, B. E., Madsen, Anders Østergaard & Pittelkow, Michael, 2014, In: Chemical Science. 5, 7, p. 2647-2650 4 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  43. Published

    Polymorph stability prediction: on the importance of accurate structures: a case study of pyrazinamide

    Wahlberg, N., Ciochon, P., Petricek, V. & Madsen, Anders Østergaard, 2014, In: Crystal Growth & Design. 14, 1, p. 381-388 8 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  44. Published

    SHADE3 server: a streamlined approach to estimate H-atom anisotropic displacement parameters using periodic ab initio calculations or experimental information

    Madsen, Anders Østergaard & Hoser, A. A., 2014, In: Journal of Applied Crystallography. 47, 6, p. 2100-2104 5 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  45. Published

    Synthesis and structures of N-Alkyl-1,13-dimethoxychromeno[ 2,3,4-kl] acridinium salts: the missing Azaoxa[4] helicenium

    Sørensen, Thomas Just, Madsen, Anders Østergaard & Laursen, Bo Wegge, 2014, In: Chemistry: A European Journal. 20, 21, p. 6391-6400 10 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  46. 2015
  47. Published

    A simple approach to estimate isotropic displacement parameters for hydrogen atoms

    Madsen, Anders Østergaard & Hoser, A. A., 2015, In: Acta Crystallographica. Section A: Foundations of Crystallography. 71, 2, p. 169-174 6 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  48. Published

    Bismuth(III)-promoted acetylation of thio­ethers into thioacetates

    Jevric, M., Petersen, A. U., Mansø, M., Madsen, Anders Østergaard & Nielsen, Mogens Brøndsted, 2015, In: European Journal of Organic Chemistry. 2015, 21, p. 4675–4688 14 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  49. Published

    Synthesis of dithiafulvene–quinone donor–acceptor systems: isolation of a Michael adduct

    Lissau, H. S., Jevric, M., Madsen, Anders Østergaard & Nielsen, Mogens Brøndsted, 2015, In: Acta Crystallographica Section C. 71, 6, p. 452-455 4 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  50. 2016
  51. Published

    Crystal structures and thermodynamic properties of polymorphs and hydrates of selected 2-pyridinecarboxaldehyde hydrazones

    Mazur, L., Jarzembska, K. N., Kaminski, R., Hoser, A. A., Madsen, Anders Østergaard, Pindelska, E. & Zielinska-Pisklak, M., 2016, In: Crystal Growth & Design. 16, 6, p. 3101-3112 12 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  52. Published

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

    Hoser, A. A. & Madsen, Anders Østergaard, 2016, In: Acta Crystallographica. Section A: Foundations of Crystallography. 72, 2, p. 206-214 9 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  53. Published

    Yes, one can obtain better quality structures from routine X-ray data collection

    Sanjuan-Szklarz, W. F., Hoser, A. A., Gutmann, M., Madsen, Anders Østergaard & Wozniak, K., 2016, In: IUCrJ. 3, p. 61-70 10 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  54. 2017
  55. Published

    A crystal structure prediction enigma solved: the gallic acid monohydrate system - surprises at 10 K

    Hoser, A. A., Sovago, I., Lanzac, A. & Madsen, Anders Østergaard, 2017, In: Chemical Communications. 53, 5, p. 925-928 4 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  56. Published

    Diversity-Oriented Syntheses by Combining CuAAC and Stereoselective INCIC Reactions with Peptides

    Wang, Y., Madsen, Anders Østergaard, Diness, Frederik & Meldal, Morten Peter, 2017, In: Chemistry - A European Journal. 23, 56, p. 13869–13874 6 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  57. Published

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

    Hoser, A. A. & Madsen, Anders Østergaard, 2017, In: Acta Crystallographica Section A: Foundations and Advances. 73, 2, p. 102-114 13 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  58. Published

    Experimental evidence of a 3-centre, 2-electron covalent bond character of the central O-H-O fragment on the Zundel cation in crystals of Zundel nitranilate tetrahydrate

    Molcanov, K., Jelsch, C., Wenger, E., Stare, J., Madsen, Anders Østergaard & Kojic-Prodic, B., 28 Jul 2017, In: CrystEngComm. 19, 28, p. 3898-3901

    Research output: Contribution to journalJournal articleResearchpeer-review

  59. Published

    Implications of X-ray thermal diffuse scattering in integrated Bragg intensities of silicon and cubic boron nitride

    Wahlberg, N. & Madsen, Anders Østergaard, Dec 2017, In: Journal of Applied Crystallography. 50, p. 1791-1799

    Research output: Contribution to journalJournal articleResearchpeer-review

  60. 2018
  61. Published

    Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission

    Rosenberg, M., Rostgaard, K. R., Liao, Z., Madsen, Anders Østergaard, Martinez, Karen Laurence, Vosch, Tom & Laursen, Bo Wegge, 2018, In: Chemical Science. 9, 12, p. 3122-3130 9 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  62. Published

    Heterogeneous nucleation of polymorphs on polymer surfaces: polymer-molecule interactions using a Coulomb and van der Waals model

    Wahlberg, N., Madsen, Anders Østergaard & Mikkelsen, Kurt Valentin, 2018, In: Journal of Molecular Modeling. 24, 7, 20 p., 155.

    Research output: Contribution to journalJournal articleResearchpeer-review

  63. Published

    Macrocycle ring deformation as the secondary design principle for light-harvesting complexes

    De Vico, L., Anda, A., Osipov, V. A. I., Madsen, Anders Østergaard & Hansen, Thorsten, 2018, In: Proceedings of the National Academy of Sciences of the United States of America. 115, 39, p. E9051-E9057 7 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  64. Published

    Quantum crystallography: current developments and future perspectives

    Genoni, A., Bucinsky, L., Claiser, N., Contreras-garcia, J., Dittrich, B., Dominiak, P. M., Espinosa, E., Gatti, C., Giannozzi, P., Gillet, J., Jayatilaka, D., Macchi, P., Madsen, A. Ø., Massa, L. J., Matta, C. F., Merz, K. M., Nakashima, P. N. H., Ott, H., Ryde, U., Schwarz, K. & 2 others, Sierka, M. & Grabowsky, S., 2018, In: Chemistry - A European Journal. 24, 43, p. 10881-10905 25 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  65. Published

    Heterogeneous nucleation of polymorphs on polymer surfaces: polymer-molecule interactions using a heterogeneous dielectric solvation model

    Wahlberg, N., Madsen, Anders Østergaard & Mikkelsen, Kurt Valentin, 1 Jul 2018, In: Journal of Molecular Modeling. 24, 7, 16 p., 156.

    Research output: Contribution to journalJournal articleResearchpeer-review

  66. 2019
  67. Published

    Determining short-lived solid forms during phase transformations using molecular dynamics

    Larsen, A. S., Olsen, M. A., Moustafa, H., Larsen, F. H., Sauer, Stephan P. A., Rantanen, Jukka & Madsen, Anders Østergaard, 2019, In: CrystEngComm. 21, 27, p. 4020-4024 5 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  68. Published

    Improving Powder Characteristics by Surface Modification Using Atomic Layer Deposition

    Hirschberg, C., Jensen, N. S., Bøtker, Johan Peter, Madsen, Anders Østergaard, Kääriäinen, T. O., Kääriäinen, M., Hoppu, P., George, S. M., Murtomaa, M., Sun, C. C., Risbo, Jens & Rantanen, Jukka, 2019, In: Organic Process Research & Development. 23, 11, p. 2362-2368

    Research output: Contribution to journalJournal articleResearchpeer-review

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