Computational chemistry, density functional theory, molecular dynamics, molecular crystals, hydrometallurgy, porous materials, energetic materials

A computational and experimental approach linking disorder, high-pressure behaviour and mechanical properties of UiO frameworks. C. L. Hobday, R. J. Marshall, C. F. Murphie, J. Sotelo, T. Richards, DR. Allan, T. Düren, F.-X. Coudert, R. S. Forgan, C. A. Morrison, S. A. Moggach and T. D. Bennett, Angew. Chem., 2016, 128, 2447-2451 A simple primary amide for the selective recovery of gold from secondary sources. E. D. Doidge, I. Carson, P. A. Tasker, R. J. Ellis, C. A. Morrison and J. B. Love, Angew. Chem. Int. Ed., 2016, 55, 12436-12439. Three-dimensional protonic conductivity in porous organic cage solids, M. Liu, L. Chen, S. Lewis, S. Y. Chong, M. A. Little, T. Hasell, I. M. Aldous, C. M. Brown, M. W. Smith, C. A. Morrison, L. J. Hardwick and A. I. Cooper, Nature Communications, 2016, 7. 12750. High-pressure experimental and DFT-D structural studies of the energetic material FOX-7, S. hunter, P. L. Coster, A. J. Davidson, D. I. A. Millar, S. F. Parker, W. G. Marshall, R. I. Smith, C. A. Morrison and C. R. Pulham, J. Phys. Chem. C., 2015, 119, 2322-2334. Ring-closing reaction in diarylethene captured by femtosecond electron crystallography. J.-R. Hubert, M. Gao, M. A. Kochman, C. Lu, C. Liu, R. R. Cooney, C. A. Morrison and R. J.D. Miller, J. Phys. Chem. B., 2013, 117, 15894-15902. Anion receptor design: exploiting outer-sphere coordination chemistry to obtain high selectivity for chloridometalates over chloride, I. Carson, K. J. MacRuary, E. D. Doidge, R. J. Ellis, R. A. Grant, R. J. Gordon, J. B. Love, C. A. Morrison, G. S. Nichol, P. A. Tasker, A. M. Wilson, Inorg. Chem., 2015, 54, 8685-8692. A computational and experimental study on the binding of dithio ligands to sperrylite, pentlandite and platinum, C. N. Waterson, P. A. Tasker, R. Farinato, S. R. Nagaraj, N. Shackleton, C. A. Morrison, J. Phys. Chem. C., 2016, 120, 22476-22488.