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Scientific Papers

Title Author Published Journal
A combined finite-discrete element method for simulating pharmaceutical powder tableting Prof. Ray Rowe 21/02/05 International Journal for Numerical Methods in Engineering, 62(7), 853-869 (2005)
A kinetic study of the B1-B2 phase transition of rubidium iodide ... pressure Prof. Jamshed Anwar 01/01/96 Materials Science Forum, 228(1&2), 375-381 (1996)
A Major Advance in Crystal Structure Prediction Dr Frank Leusen 02/05/08 Angew. Chem. Int. Ed., 47: 2427 - 2430 (2008)
A molecular dynamics study of the effects of defects .... polymorphic phase transformations Prof. Jamshed Anwar 22/08/96 Journal of Chemical Physics, 105(8), 3215-3218 (1996)
A simulated annealing approach for crystal structure solution Dr Frank Leusen 01/07/01 Molecular Crystals and Liquid Crystals, 356, 355-364 (2001)
A study of different approaches to the electrostatic interaction ... organic crystals Dr Frank Leusen 01/11/03 Physical Chemistry Chemical Physics, 5(21), 4923-4931
A test of crystal structure prediction of small organic molecules Dr Frank Leusen 01/08/00 Acta Crystallographica B, 56, 697-714 (2000)
A third blind test of crystal structure prediction Dr Frank Leusen 01/10/05 Acta Crystallographica B, 61, 511-527
Ab initio structure determination of sulfathizole polymorph V from ... diffraction data Prof. Jamshed Anwar 01/06/99 Journal of Applied Crystallography, 32(3), 436-441 (1999)
An approach to developing a forcefield for molecular simulation Prof. Jamshed Anwar 05/06/04 J. Amer. Chem. Soc., 126(1), 396-405 (2004)

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