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Scientific Papers

Title Author Published Journal
A test of crystal structure prediction of small organic molecules Dr Frank Leusen 01/08/00 Acta Crystallographica B, 56, 697-714 (2000)
A simulated annealing approach for crystal structure solution Dr Frank Leusen 01/07/01 Molecular Crystals and Liquid Crystals, 356, 355-364 (2001)
Multipoles versus charges in the 1999 crystal structure prediction test Dr Frank Leusen 01/07/01 Physical Chemistry Chemical Physics, 3, 5063-5066
Crystal structure of a rigid ferrocene-based macrocycle ... powder diffraction Dr Frank Leusen 24/12/01 Organometallics, 20, 5642-5647
Expert systems in pharmaceutical product development Prof. Ray Rowe 01/01/02 Encyclopaedia of Pharmaceutical Technology, 1188-1210 (2002)
Recent advances in structure solution from powder diffraction data Dr Frank Leusen 20/01/02 International Journal of Modern Physics B, 16, 407-414 (2002)
Analysis of the surface energy of pharmaceutical powder by inverse gas chromatography Dr Ian Grimsey 01/02/02 Journal of Pharmaceutical Sciences, 91(2), 571-583 (2002)
Applications of neural computing in formulation Prof. Ray Rowe 01/04/02 Pharmaceutical Visions, Spring Edition, 4-8
Crystal structure prediction of small organic molecules: a second blind test Dr Frank Leusen 01/08/02 Acta Crystallographica B, 58, 647-661 (2002)
The effect of experimental design on the modeling of a tablet coating formulation using ANN Prof. Ray Rowe 01/09/02 European Journal of Pharmaceutical Sciences, 16, 281-288 (2002)

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