Items by Tiana, Davide

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Number of items: 17.


Bristow, J., Svane, K., Tiana, D., Skelton, J., Gale, J. D. and Walsh, A., 2016. Free Energy of Ligand Removal in the Metal-Organic Framework UiO-66. Journal of Physical Chemistry C, 120 (17), pp. 9276-9281.

Jackson, A. J., Tiana, D. and Walsh, A., 2016. A universal chemical potential for sulfur vapours. Chemical Science, 7 (2), pp. 1082-1092.

Sieffert, N., Kendrick, T., Tiana, D. and Morrison, C. A., 2015. First principles static and dynamic calculations for the transition metal hydride series M H4 L 3 (M = Fe, Ru and Os; L = NH3, PH3 and PF3). Dalton Transactions, 44 (9), pp. 4259-4270.

Woodall, C. H., Fuertes Lorda, S., Beavers, C. M., Hatcher, L. E., Parlett, A., Shepherd, H. J., Christensen, J., Teat, S. J., Intissar, M., Rodrigue-Witchel, A., Suffren, Y., Reber, C., Hendon, C. H., Tiana, D., Walsh, A. and Raithby, P. R., 2014. Tunable trimers:using temperature and pressure to control luminescent emission in gold(i) pyrazolate-based trimers. Chemistry - A European Journal, 20 (51), pp. 16933-16942.

Macchi, P., Casati, N., Evans, S.R., Gozzo, F., Simoncic, P. and Tiana, D., 2014. An "off-axis" Mn-Mn bond in Mn2(CO)10 at high pressure. Chemical Communications, 50 (85), pp. 12824-12827.

Bristow, J. K., Tiana, D. and Walsh, A., 2014. Transferable force field for metal-organic frameworks from first-principles:BTW-FF. Journal of Chemical Theory and Computation, 10 (10), pp. 4644-4652.

Hendon, C.H., Tiana, D., Fontecave, M., Sanchez, C., D'Arras, L., Sassoye, C., Rozes, L., Mellot-Draznieks, C. and Walsh, A., 2013. Engineering the optical response of the titanium-MIL-125 metal-organic framework through ligand functionalization. Journal of the American Chemical Society, 135 (30), pp. 10942-10945.

Hendon, C. H., Tiana, D. and Walsh, A., 2012. Conductive metal–organic frameworks and networks:Fact or fantasy? Physical Chemistry Chemical Physics, 14 (38), pp. 13120-13132.

Conference or Workshop Items

Tiana, D., 2012. Describing the chemical interaction using the electron charge density. Are “real space” techniques complementary to Wannier function? In: Efficient localised orbitals for large systems, strong correlations and excitations, 2012-07-02 - 2012-07-05.

Tiana, D., 2012. Materials modeling of conductive metal-organic frameworks. Submitted to: 2nd TYC Energy Materials Workshop and Tutorial, 2012-06-06 - 2012-06-08.

This list was generated on Sun Apr 23 13:25:38 2017 IST.