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  1. 2012
  2. Published

    Overcoming Low Orbital Overlap and Triplet Instability Problems in TDDFT

    Peach, M. J. G. & Tozer, D. J., 4/10/2012, In: Journal of Physical Chemistry A. 116, 39, p. 9783-9789 7 p.

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

  3. Published

    An examination of the calcium and strontium site distribution in bioactive glasses through isomorphic neutron diffraction, X-ray diffraction, EXAFS and multinuclear solid state NMR

    Martin, R. A., Twyman, H. L., Rees, G. J., Barney, E. R., Moss, R. M., Smith, J. M., Hill, R. G., Cibin, G., Charpentier, T., Smith, M. E., Hanna, J. V. & Newport, R. J., 2/10/2012, In: Journal of Materials Chemistry. 22, 41, p. 22212-22223 12 p.

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

  4. Published

    Mechanochemical synthesis of tin nanowires for anodes in Li+ ion secondary batteries

    Tapia-Ruiz, N., Nithya, C., Jayakrishnan, S., Gopukumar, S. & Gregory, D. H., 10/2012, In: Journal of the Chinese Chemical Society. 59, 10, p. 1190-1195 6 p.

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

  5. Published

    A therapeutically viable photo-activated manganese-based CO-releasing molecule (photo-CO-RM)

    Ward, J. S., Lynam, J. M., Moir, J. W. B., Sanin, D. E., Mountford, A. P. & Fairlamb, I. J. S., 21/09/2012, In: Dalton Transactions. 41, 35, p. 10514-10517 4 p.

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

  6. Published

    Formation of ZnMn2O4 ball-in-ball hollow microspheres as a high-performance anode for lithium-ion batteries

    Zhang, G., Yu, L., Wu, H. B., Hoster, H. E. & Lou, X. W., 4/09/2012, In: Advanced Materials. 24, 34, p. 4609-4613 5 p.

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

  7. Published

    Organometallic complexes of transition metals in luminescent cell imaging applications

    Thorp-Greenwood, F. L., Balasingham, R. G. & Coogan, M., 1/09/2012, In: Journal of Organometallic Chemistry. 714, p. 12-21 10 p.

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

  8. Published

    The Human Skin Barrier Is Organized as Stacked Bilayers of Fully Extended Ceramides with Cholesterol Molecules Associated with the Ceramide Sphingoid Moiety

    Iwai, I., Han, H., den Hollander, L., Svensson, S., Oefverstedt, L.-G., Anwar, J., Brewer, J., Bloksgaard, M., Laloeuf, A., Nosek, D., Masich, S., Bagatolli, L. A., Skoglund, U. & Norlen, L., 09/2012, In: Journal of Investigative Dermatology. 132, 9, p. 2215-2225 11 p.

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

  9. Published

    Introduction to the Organometallics in Biology and Medicine Issue

    Coogan, M., Dyson, P. J. & Bochmann, M., 27/08/2012, In: Organometallics. 31, 16, p. 5671-5672 2 p.

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

  10. Published

    Directed assembly of Ru nanoclusters on Ru(0001)-supported graphene: STM studies and atomistic modeling

    Engstfeld, A. K., Hoster, H. E., Behm, R. J., Roelofs, L. D., Liu, X., Wang, C.-Z., Han, Y. & Evans, J. W., 22/08/2012, In: Physical review B. 86, 8, 12 p., 085442.

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

  11. Published

    Gold (I) Complexes Derived From Alkynoxy-substituted Anthraquinones: Syntheses, Luminescence, Cytotoxicity and Cell Imaging Studies,

    Balasingham, R. G., Williams, C. F., Mottram, H. J., Coogan, M. & Pope, S. J. A., 16/08/2012, In: Organometallics. 31, 16, p. 5835-5843 9 p.

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

  12. Published

    Miniaturised free flow isotachophoresis of bacteria using an injection moulded separation device

    Prest, J. E., Baldock, S. J., Fielden, P. R., Goddard, N. J., Goodacre, R., O'Connor, R. & Brown, B. J. T., 15/08/2012, In: Journal of Chromatography B-Analytical Technologies in the Biomedical and Life Sciences. 903, p. 53-59 7 p.

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

  13. Published

    Formation, atomic distribution and mixing energy in two-dimensional PdxAg1-x surface alloys on Pd(111)

    Engstfeld, A. K., Hoster, H. E. & Behm, R. J., 14/08/2012, In: Physical Chemistry Chemical Physics. 14, 30, p. 10754-10761 8 p.

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

  14. Published

    New Insights into the Crystal and Electronic Structures of Li1+xV1–xO2 from Solid State NMR, Pair Distribution Function Analyses, and First Principles Calculations

    Pourpoint, F., Hua, X., Middlemiss, D. S., Adamson, P., Wang, D., Bruce, P. G. & Grey, C. P., 14/08/2012, In: Chemistry of Materials. 24, 15, p. 2880-2893 14 p.

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

  15. Published

    The role of surface defects in large organic molecule adsorption: substrate configuration effects

    Waldmann, T., Nenon, C., Tonigold, K., Hoster, H. E., Gross, A. & Behm, R. J., 14/08/2012, In: Physical Chemistry Chemical Physics. 14, 30, p. 10726-10731 6 p.

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

  16. Published

    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

  17. Published

    Isostructural series of nine-coordinate chiral lanthanide complexes based on triazacyclononane

    Walton, J. W., Carr, R., Evans, N. H., Funk, A. M., Kenwright, A. M., Parker, D., Yufit, D. S., Botta, M., De Pinto, S. & Wong, K.-L., 6/08/2012, In: Inorganic Chemistry. 51, 15, p. 8042-8056 15 p.

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

  18. Published

    Applications of NMR crystallography to problems in biomineralization: refinement of the crystal structure and P-31 solid-state NMR spectral assignment of octacalcium phosphate

    Davies, E., Duer, M. J., Ashbrook, S. E. & Griffin, J. M., 1/08/2012, In: Journal of the American Chemical Society. 134, 30, p. 12508-12515 8 p.

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

  19. Published

    Sustainable catalytic reaction engineering with gas-expanded liquids

    Subramaniam, B. & Akien, G. R., 1/08/2012, In: Current Opinion in Chemical Engineering. 1, 3, p. 336-341 6 p.

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

  20. Published

    Effect of oils and their components on the water permeability of the skin

    Ghonaim, H. M., Noro, M. G. & Anwar, J., 08/2012, In: International Journal of Cosmetic Science. 34, 4, p. 369-369 1 p.

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

  21. Published

    Improved background suppression in H-1 MAS NMR using composite pulses

    Odedra, S. & Wimperis, S., 08/2012, In: Journal of Magnetic Resonance. 221, p. 41-50 10 p.

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

  22. Published

    Preparation and characterisation of a simple 3-component model skin membrane

    Ghonaim, H. M., Periasamy, N., Noro, M. G. & Anwar, J., 08/2012, In: International Journal of Cosmetic Science. 34, 4, p. 369-369 1 p.

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

  23. Published

    Fe2O3 nanocluster-decorated graphene as O-2 electrode for high energy Li-O-2 batteries

    Zhang, W., Zeng, Y., Xu, C., Tan, H., Liu, W., Zhu, J., Xiao, N., Hng, H. H., Ma, J., Hoster, H. E., Yazami, R. & Yan, Q., 26/07/2012, In: RSC Advances. 2, 22, p. 8508-8514 7 p.

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

  24. Published

    A multinuclear solid-state NMR study of templated and calcined chabazite-type GaPO-34

    Amri, M., Ashbrook, S. E., Dawson, D. M., Griffin, J. M., Walton, R. I. & Wimperis, S., 19/07/2012, In: The Journal of Physical Chemistry C. 116, 28, p. 15048-15057 10 p.

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

  25. Published

    Synthesis and crystal chemistry of the STA-12 family of metal N,N '-piperazinebis(methylenephosphonate)s and applications of STA-12(Ni) in the separation of gases

    Wharmby, M. T., Pearce, G. M., Mowat, J. P. S., Griffin, J. M., Ashbrook, S. E., Wright, P. A., Schilling, L.-H., Lieb, A., Stock, N., Chavan, S., Bordiga, S., Garcia, E., Pirngruber, G. D., Vreeke, M. & Gora, L., 15/07/2012, In: Microporous and Mesoporous Materials. 157, p. 3-17 15 p.

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

  26. Published

    Large surface photovoltages observed at methyl-terminated silicon surfaces synthesised through a two-step chlorination-alkylation method

    Alderman, N., Danos, L., Grossel, M. C. & Markvart, T., 10/07/2012, In: RSC Advances. 2, 20, p. 7669-7672 4 p.

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

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