D. Loke, J.M. Skelton, T.-C. Chong and S.R. Elliott, ACS Appl. Mater. Interfaces (2016), 8, 34530–34536.
59. Computational Screening of All Stoichiometric Inorganic Materials
D.W. Davies, K.T. Butler, AJ.Jackson, A. Morris, J.M. Frost, J.M. Skelton, A. Walsh, Chem (2016), 1, 617–627.
A.M.A. Leguy, A.R. Goñi, J.M. Frost, J.M. Skelton, F. Brivio, X. Rodríguez-Martínez, O.J. Weber, A. Pallipurath, M.I. Alonso, M. Campoy-Quiles, M.T. Weller, J. Nelson, A. Walsh and P.R. F. Barnes, PCCP (2016), 18, 27051-27066.
57. pH-induced reversal of ionic diode polarity in 300nm thin membranes based on a polymer of intrinsic microporosity.
Y. Rong, Q. Song, K. Mathwig, E. Madrid, D. He, R.G. Niemann, P.J Cameron, S.E.C. Dale, S. Bending, M. Carta, R. Malpass-Evans, N.B. McKeown, F. Marken, Electrochem. Comm. (2016), 69, 41-45.
Y. Rong, A. Kolodziej, E. Madrid, M. Carta, R. Malpass-Evans, N.B. McKeown, F. Marken, J. Electroanal. Chem. (2016), 779, 241-249.
L.D. Whalley, J.M. Skelton, J.M. Frost, and A. Walsh, Phys. Rev. B (2016), 94, 220301(R).
54. A general forcefield for accurate phonon properties of metal–organic frameworks
J.K. Bristow, J.M. Skelton, K.L. Svane, A. Walsh and J.D. Gale, PCCP (2016), 18, 29316-29329.
A.N. Beecher, O.E. Semonin, J.M. Skelton, J.M. Frost, M.W. Terban, H. Zhai, A. Alatas, J.S. Owen, A. Walsh, and S.J.L. Billinge, ACS Energy Lett. (2016), 1, 880–887.
T. Shibuya, J.M. Skelton, A.J. Jackson, K. Yasuoka, A. Togo, I. Tanaka, and A. Walsh, APL Materials (2016), 4, 104809.
51. Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions
J.M. Skelton, L.A. Burton, S.C. Parker, A. Walsh, C.-E. Kim, A. Soon, J. Buckeridge, A.A. Sokol, C.R.A. Catlow, A. Togo, and I. Tanaka, Phys. Rev. Lett. (2016), 117, 075502.
50. Estimation of semiconductor-like pigment concentrations in paint mixtures and their differentiation from paint layers using first-derivative reflectance spectra
A.R. Pallipurath, J.M. Skelton, P. Ricciardi, S.R. Elliott, Talanta (2016), 154, 63–72.
T.J. Whittles, L.A. Burton, J.M. Skelton, A. Walsh, T.D. Veal, and V.R. Dhanak, Chem. Mater. (2016), 28, 3718–3726.
48. Free Energy of Ligand Removal in the Metal–Organic Framework UiO-66
J.K. Bristow, K.L. Svane, D. Tiana, J.M. Skelton, J.D. Gale, and A. Walsh, J. Phys. Chem. C (2016), 120, 9276–9281.
47. Computational materials design of crystalline solids
K.T. Butler, J.M. Frost, J.M. Skelton, K.L. Svane and A. Walsh, Chem. Soc. Rev. (2016), 45, 6138-6146.
E. Madrid, D.P. He, J.L. Yang, C.F. Hogan, B. Stringer, K.J. Msayib, N.B. McKeown, P.R. Raithby, and F. Marken, ChemElectroChem (2016), 3, 2160-2164.
45. Ion flow in a zeolitic imidazolate framework results in ionic diode phenomena
E. Madrid, M. A. Buckingham, J. M. Stone, A. T. Rogers, W. J. Gee, A. D. Burrows, P. R. Raithby, V. Celorrio, D. J. Fermin and F. Marken, Chem. Comm. (2016), 52, 2792-2794.
44. An iodine vapour induced cyclisation in a crystalline molecular flask
J. V. Knichal, H. J. Shepherd, C. C. Wilson, P. R. Raithby, W. J. Gee and A. D. Burrows, Angew. Chem. (2016), 55, 5943-5946.
43. Furnishing amine-functionalized MOFs with the -amidoketone group by post-synthetic modification
W. J. Gee, L. K. Cadman, H. Amer Hamzah, M. F. Mahon, P. R. Raithby and A. D. Burrows, Inorg. Chem. (2016), 55, 10839-10842.
R.A. Al-Balushi, A. Haque, M. Jayapal, M.K. Al-Suti, J. Husband, M.S. Khan, J.M. Skelton, K.C. Molloy, and P.R. Raithby, Inorg. Chem. (2016), 55, 10955–10967.
41. Design and Evaluation of a Mesoscale Segmented Flow Reactor (KRAIC)
K. Robertson, P.B. Flandrin, A.R. Klapwijk, and C.C. Wilson, Cryst. Growth Des. (2016), 16, 4759–4764.
L. E. Hatcher, CrystEngComm (2016), 18, 4180-4187.
C. H. Woodall, J. Christensen, J. M. Skelton, L. E. Hatcher, A. Parlett, P. R. Raithby, A. Walsh, S. C. Parker, C. M. Beavers and S. J. Teat, IUCrJ (2016), 3, 367-376.
38. N-Heterocyclic Carbene Adducts of Molybdenum Tetracarboxylate Complexes
T.P. Robinson, A.L. Johnson, P.R. Raithby, and G. Kociok-Kohn, Organometallics (2016), 35, 2494–2506.
R.A. Al-Balushi, A. Haque, M. Jayapal, M.K. Al-Suti, J. Husband, M.S. Khan, O.F. Koentjoro, K.C. Molloy, J.M. Skelton, and P.R. Raithby, Inorg. Chem. (2016), 55, 6465–6480.
M.S. Khan, M.K. Al-Suti, J. Maharajaa, A. Haquea, R. Al-Balushia, and P.R. Raithby, J. Organomet. Chem (2016), 812, 13-33.
35. Toward Controlling the Solid State Valence Tautomeric Interconversion Character by Solvation
M.A. Ribeiro, D.E. Stasiw, P. Pattison, P.R. Raithby, D.A. Shultz, and C.B. Pinheiro, Cryst. Growth Des. (2016), 16, 2385–2393.
A. T. Murray, J. D. Challinor, C. E. Gulácsy, C. Lujan, L. E. Hatcher, C. R. Pudney, P. R. Raithby, M. P. John and D. R. Carbery, Org. Bio. Chem. (2016), 14, 3787-3792.
33. Magnetic coupling in a hybrid Mn(II) acetylene dicarboxylate
C. H. Hendon, F. Pradaux-Caggiano, L. E. Hatcher, W. J. Gee, C. C. Wilson, K. T. Butler, D. R. Carbery, A. Walsh and B. C. Melot, PCCP (2016), 18, 33329-33334.