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Crystallography Laboratory University of Nijmegen

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René 's list of Publications

  1. On the Construction of Karle-Hauptman Matrices.
    R. de Gelder, R.A.G. de Graaff, and H. Schenk.
    Acta Crystallografica A46 (1990), 688-692.

  2. Karle-Hauptman Matrices and the Phase Problem in Single-Crystal X-ray Diffraction.
    R. de Gelder.
    Thesis (1992). University of Leyden. The Netherlands.

  3. Automatic Determination of Crystal Structures using Karle-Hauptman Matrices.
    R. de Gelder, R.A.G. de Graaff, and H. Schenk.
    Acta Crystallografica A49 (1993), 287-293.

  4. Symmetry and the Generalized Maximum Determinant Rule.
    R. de Gelder, M.O. Elout, R.A.G. de Graaff, and H. Schenk.
    Zeitschrift für Kristallografie 207 (1993), 237-243.

  5. The Vitamin D2 story.
    I. Leban, R.A.G. de Graaff, R. de Gelder, J. Turkenburg, K.S. Wilson, and Z. Dauter.
    In: The Collected Works of Dorothy Crowfoot Hodgkin. Volume-III. General Crystallography and Essays. Editors: G.G. Dodson, J.P. Glusker, S. Ramaseshan, K. Venkatesan. 1994 Interline Publishing Pvt. Ltd., Bangalore.

  6. The Cochran Distribution for Incommensurately Modulated Structures.
    R. de Gelder, E.J.W. Lam, R. Israël, P.T. Beurskens, and S. van Smaalen.
    Proceedings of the International Conference on Aperiodic Crystals, p. 414-418. Aperiodic '94. Les Diablerets, Switzerland 18-22 september 1994. Editors: Gervais Chapuis and Wlodzimierz Paciorek. Published by: World Scientific Publishing Co. Pte. Ltd. PO Box 125, Farrer Road, Singapore 9128.

  7. The DIRDIF scaling procedures; rescaling for structures showing superstructure effects.
    R. Israël, C. Smykalla, R. de Gelder, and P.T. Beurskens.
    Zeitschrift für Kristallografie 210 (1995), 909-919.

  8. Direct Methods for Incommensurately Modulated Structures.
    On the Applicability of Normalized Structure Factors.
    R. de Gelder, R. Israël, E.J.W. Lam, P.T. Beurskens, S. van Smaalen, Fu Zheng-Qing, and Fan Hai-Fu.
    Acta Crystallographica A52 (1996), 947-954.

  9. CRUNCH : solving structures using Karle-Hauptman matrices.
    R.A.G. de Graaff and R. de Gelder.
    Acta Crystallographica A46 (1996), C-53.

  10. The DIRDIF program system.
    P.T. Beurskens, G. Admiraal, G. Beurskens, W.P. Bosman, R. de Gelder, R. Israël, and J.M.M. Smits.
    Technical Report of the Crystallography Laboratory, University of Nijmegen, The Netherlands. (1997)

  11. Clathrate Type Complexation of Cephalosporins with Beta-naphtol.
    G.J. Kemperman, R. de Gelder, F.J. Dommerholt, P.C. Raemakers-Franken, A.J.H. Klunder, and B. Zwanenburg.
    Chemistry, a European Journal 5 (1999), 2163-2168.

  12. Elucidation of the Structure of Solanoeclepin A, a Natural Hatching Factor of Potato and Tomato Cyst Nematodes by Single-crystal X-ray Diffraction.
    H. Schenk, R.A.J. Driessen, R. de Gelder, K. Goubitz, H. Nieboer, I.E.M. Brüggemann-Rotgans, and P. Diepenhorst.
    Croatica Chemica Acta (1999) Vol. 72, No. 2-3, 593-606.

  13. Molecular Challenges in Modern Chemometrics.
    R. Wehrens, R. de Gelder, G.J. Kemperman, B. Zwanenburg, and L.M.C. Buydens.
    Analytica Chimica Acta (1999), 400, 413-424.

  14. CRUNCH: Getting the Maximum Out of Determinants.
    R. de Gelder and R.A.G. de Graaff.
    IUCr XVIII Congress and General Assembly, Collected Abstracts, C.C. Wilson, K. Shankland and T. Csoka, Eds., (1999), 92.

  15. Induced Fit Phenomena in Clathrate Structures of Cephalosporins.
    G.J. Kemperman, R. de Gelder, F.J. Dommerholt, P.C. Raemakers-Franken, A.J.H. Klunder, and B. Zwanenburg.
    Journal of the Chemical Society-Perkin Transactions 2 (2000), 7, 1425-1429.

  16. Direct Determination of Molecular Constants from Rovibronic Spectra with Genetic Algorithms.
    J.A. Hageman, R. Wehrens, R. de Gelder, W.L. Meerts, L.M.C. Buydens.
    Journal of Chemical Physics (2000), 113, 7955-7962.

  17. Fitting fluorescence spectra with genetic algorithms.
    J.A. Hageman, R. Wehrens, R. de Gelder, W.L. Meerts, L.M.C. Buydens.
    In Parallel Problem Solving from Nature VI, page 702. Springer Verlag, 2000. Lecture Notes in Computer Science.

  18. A Generalized Expression for the Similarity of Spectra: Application to Powder Diffraction Pattern Classification.
    R. de Gelder, R. Wehrens and J.A. Hageman.
    Journal of Computational Chemistry (2001), 22, 3, 273-289.

  19. Efficiency of Cephalosporin Complexation with Aromatic Compounds.
    G.J. Kemperman, R. de Gelder, F.J. Dommerholt, P.C. Raemakers-Franken, A.J.H. Klunder, and B. Zwanenburg.
    Journal of the Chemical Society-Perkin Transactions 2 (2001), 4, 633-638.

  20. The reliability index R2 as a versatile tool in the structure analysis of difficult inorganic and small molecular compounds.
    P.T. Beurskens, R. Israël, R. de Gelder, G. Beurskens, and R.A.G. de Graaff.
    Journal of Applied Crystallography (2001), 34, 178-186.

  21. A Computational Model to Predict Clathration of Molecules with Cephradine.
    G.J. Kemperman, R. de Gelder, R. Wehrens, F.J. Dommerholt, A.J.H. Klunder, L.M.C. Buydens, and B. Zwanenburg.
    Journal of the Chemical Society-Perkin Transactions 2, accepted.

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