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Publications & Outputs

  1. Modelling of 'sub-atomic' contrast resulting from back-bonding on Si(111)-7x7

    Sweetman, A., Jarvis, S. P. & Rashid, M. A., 29/06/2016, In : Beilstein Journal of Nanotechnology. 7, p. 937-945 9 p.

    Research output: Contribution to journalJournal article

  2. A Combined Monte Carlo and Huckel Theory Simulation of Orientational Ordering in C-60 Assemblies

    Leaf, J., Stannard, A., Jarvis, S. P., Moriarty, P. & Dunn, J. L., 21/04/2016, In : The Journal of Physical Chemistry C. 120, 15, p. 8139-8147 9 p.

    Research output: Contribution to journalJournal article

  3. In situ NMR and electrochemical quartz crystal microbalance techniques reveal the structure of the electrical double layer in supercapacitors

    Griffin, J. M., Forse, A. C., Tsai, W-Y., Taberna, P-L., Simon, P. & Grey, C. P., 08/2015, In : Nature Materials. 14, 8, p. 812-819 8 p.

    Research output: Contribution to journalJournal article

  4. Lattice simulation method to model diffusion and NMR spectra in porous materials

    Merlet, C., Forse, A. C., Griffin, J. M., Frenkel, D. & Grey, C. P., 7/03/2015, In : Journal of Chemical Physics. 142, 9, 13 p., 094701.

    Research output: Contribution to journalJournal article

  5. Influence of triplet instabilities in TDDFT

    Peach, M. J. G., Williamson, M. J. & Tozer, D. J., 11/2011, In : Journal of Chemical Theory and Computation. 7, 11, p. 3578-3585 8 p.

    Research output: Contribution to journalJournal article

  6. A soft porous organic cage crystal with complex gas sorption behavior

    Mitra, T., Wu, X., Clowes, R., Jones, J. T. A., Jelfs, K. E., Adams, D. J., Trewin, A., Bacsa, J., Steiner, A. & Cooper, A. I., 09/2011, In : Chemistry - A European Journal. 17, 37, p. 10235-10240 6 p.

    Research output: Contribution to journalJournal article

  7. Quantum chemical studies of the hydration of Sr2+ in vacuum and aqueous solution

    Kerridge, A. & Kaltsoyannis, N., 26/04/2011, In : Chemistry - A European Journal. 17, 18, p. 5060-5067 8 p.

    Research output: Contribution to journalJournal article

  8. Toggling bistable atoms via mechanical switching of bond angle

    Sweetman, A., Jarvis, S., Danza, R., Bamidele, J., Gangopadhyay, S., Shaw, G. A., Kantorovich, L. & Moriarty, P., 28/03/2011, In : Physical review letters. 106, 13, 4 p., 136101.

    Research output: Contribution to journalJournal article

  9. Thermotropic biaxial nematic order parameters and phase transitions deduced by Raman scattering

    Southern, C. D., Brimicombe, P. D., Siemianowski, S. D., Jaradat, S., Roberts, N., Gortz, V., Goodby, J. W. & Gleeson, H. F., 06/2008, In : EPL. 82, 5, 6 p., 56001.

    Research output: Contribution to journalJournal article

  10. Optical spectra of the triplet He-2* excitations in various phases of liquid He-3 and He-4 under high pressures

    Parshin, A. Y., Todoshchenko, I. A. & Kafanov, S., 07/2000, In : Physica B: Condensed Matter. 284-288, Part 1, p. 91-92 2 p.

    Research output: Contribution to journalJournal article