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Research

Results for CRYSTAL

Publications & Outputs

  1. A Combined Mg-25 Solid-State NMR and Ab Initio DFT Approach to Probe the Local Structural Differences in Magnesium Acetate Phases Mg(CH3COO)(2)center dot nH(2)O (n=0,1,4)

    Seymour, V. R., Day, S. P., Scholz, G., Scheurell, K., Iuga, D., Griffin, J. M., Kemnitz, E., Hanna, J. V. & Smith, M. E., 17/07/2018, In: ChemPhysChem. 19, 14, p. 1722-1732 11 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  2. Bespoke force field for simulating the molecular dynamics of porous organic cages

    Holden, D., Jelfs, K. E., Cooper, A. I., Trewin, A. & Willock, D. J., 9/08/2012, In: The Journal of Physical Chemistry C. 116, 31, p. 16639-16651 13 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  3. Porous organic molecular solids by dynamic covalent scrambling

    Jiang, S., Jones, J. T. A., Hasell, T., Blythe, C. E., Adams, D. J., Trewin, A. & Cooper, A. I., 02/2011, In: Nature Communications. 2, 2, 7 p., 207.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  4. On-off porosity switching in a molecular organic solid

    Jones, J. T. A., Holden, D., Mitra, T., Hasell, T., Adams, D. J., Jelfs, K. E., Trewin, A., Willock, D. J., Day, G. M., Bacsa, J., Steiner, A. & Cooper, A. I., 17/01/2011, In: Angewandte Chemie International Edition. 50, 3, p. 749-753 5 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  5. Porous organic molecules

    Holst, J. R., Trewin, A. & Cooper, A. I., 11/2010, In: Nature Chemistry. 2, 11, p. 915-920 6 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  6. Preparation, structural characterisation and antibacterial properties of Ga-doped sol-gel phosphate-based glass

    Pickup, D. M., Valappil, S. P., Moss, R. M., Twyman, H. L., Guerry, P., Smith, M. E., Wilson, M., Knowles, J. C. & Newport, R. J., 1/04/2009, In: Journal of Materials Science: Materials in Medicine. 44, 7, p. 1858-1867 10 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  7. Syntheses and structures of iron(III) complexes of simple N-donor ligands

    Cotton, S. A., Franckevicius, V. & Fawcett, J., 1/09/2002, In: Polyhedron. 21, 20, p. 2055-2061 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  8. Ab initio structure determination of sulfathiazole polymorph V from synchrotron X-ray powder diffraction data

    Chan, FC., Anwar, J., Cernik, R., Barnes, P. & Wilson, RM., 1/06/1999, In: Journal of Applied Crystallography. 32, p. 436-441 6 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review