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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 journalJournal articlepeer-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 journalJournal articlepeer-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 journalJournal articlepeer-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 journalJournal articlepeer-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 journalJournal articlepeer-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 journalJournal articlepeer-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 journalJournal articlepeer-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 journalJournal articlepeer-review