Vibrational spectroscopy of a compound with a CS7 ring (2009)
Parker, SF, Refson, K, Tavender, SM, Albers, P, Hannebaue, B, Janik, M, ...
Gremaud, R, Lodziana, Z, Hug, P, Willenberg, B, Racu, A, Schoenes, J, ...
3D imaging of the Fermi surface by thermal diffuse scattering (2009)
Bosak, A, Hoesch, M, Krisch, M, Chernyshov, D, Pattison, P, Schulze-Briese, C, ...
Theoretical infrared absorption coefficient of OH groups in minerals (2008)
Balan, E, Refson, K, Blanchard, M, Delattre, S, Lazzeri, M, Ingrin, J, ...
Quantum Delocalization of Molecular Hydrogen in Alkali-graphite Intercalates (2008)
Lovell, A, Fernandez-Alonso, F, Skipper, NT, Refson, K, Bennington, SM, Parker, SF
Strong Physisorption Site for H2 in K- and Li-doped Porous Carbons (2008)
Pellenq, RJ-M, Marinelli, F, Fuhr, JD, Fernandez-Alonso, F, Refson, K
Theoretical Infrared Absorption Coefficient of OH Groups in Minerals (2008)
Balan, E., Refson, K., Blanchard, M., Delattre, S., Lazzeri, M., Ingrin, J., ...
The integrated molar absorption coefficient of isolated and localized OH groups in selected minerals is theoretically investigated within the density functional theory framework. The overall decrease...
Winkler, B., Gale, Julian, Refson, K., Wilson, D., Milman, V.
Density functional theory calculations have been used to study the pressure-induced changes of the hydrogen bond of Fe-free orthozoisite and clinozoisite and the concomitant shifts of the...
Dispersion relation of an OH-stretching vibration from inelastic x-ray scattering (2008)
We show that recent advances now allow us to measure the wave vector dependence of OH-stretching frequencies at energies around 400 meV by inelastic x-ray scattering using ID28@ESRF. We found a...
Winkler, B., Gale, Julian, Refson, K., Wilson, D., Milman, V.
Density functional theory calculations have been used to study the pressure-induced changes of the hydrogen bond of Fe-free orthozoisite and clinozoisite and the concomitant shifts of the...
Theoretical Infrared Absorption Coefficient of OH Groups in Minerals (2008)
Balan, E., Refson, K., Blanchard, M., Delattre, S., Lazzeri, M., Ingrin, J., ...
The integrated molar absorption coefficient of isolated and localized OH groups in selected minerals is theoretically investigated within the density functional theory framework. The overall decrease...
High-pressure properties of diaspore, AlO(OH) (2007)
Friedrich, A, Wilson, DJ, Haussühl, E, Winkler, B, Morgenroth, W, Refson, K, ...
High-pressure properties of diaspore, AlO(OH) (2007)
A. Friedrich, D.J. Wilson, E. Haussühl, B. Winkler, W. Morgenroth, ...
Journal article
Variational density-functional perturbation theory for dielectrics and lattice dynamics. (2006)
Refson, K., Tulip, P. R., Clark, S. J.
The application of variational density functional perturbation theory (DFPT) to lattice dynamics and dielectric properties is discussed within the plane-wave pseudopotential formalism. We derive a...
Vibrational spectroscopy at central facilities (2006)
Parker, SF, Cinque, G, Dumas, P, Gardner, P, Parker, AW, Refson, K, ...
On the 31st August 2006, a joint meeting of the Royal Society of Chemistry Molecular Spectroscopy Group and the Infrared and Raman Discussion Group (IRDG) was held at the Rutherford Appleton...
Terascale materials modelling on high performance system HPCx (2006)
Plummer, M, Hein, J, Guest, MF, D'Mellow, KJ, Bush, IJ, Refson, K, ...
We describe the HPCx UoE Ltd national computing resource HPCx Phase 2 as used in 2004 and 2005. We describe the work of the HPCx terascaling team and how this work in collaboration with...
Spectroscopic and ab initio characterization of the [ReH9](2-) Ion (2006)
Parker, SF, Refson, K, Williams, KPJ, Braden, DA, Hudson, BS, Yvon, K
First principles methods using CASTEP (2005)
Clark, S.J., Segall, M.D., Pickard, C.J., Hasnip, P.J., Probert, M.I.J., Refson, K., ...
The CASTEP code for first principles electronic structure calculations will be described. A brief, nontechnical overview will be given and some of the features and capabilities highlighted. Some...
First principles methods using CASTEP (2005)
Clark, SJ, Segall, MD, Pickard, CJ, Hasnip, PJ, Probert, MJ, Refson, K, ...
Spin singlet formation in MgTi2O4: Evidence of a helical dimerization pattern (2004)
Schmidt, M, Ratcliff, W, Radaelli, P G, Refson, K, Harrison, N M, Cheong, S W
The transition-metal spinel MgTi2O4 undergoes a metal-insulator (M-I) transition on cooling below TMI = 260 K. A sharp reduction of the magnetic susceptibility below TMI suggests the onset of a...
Spin singlet formation in MgTi$_2$O$_4$: evidence of a helical dimerization pattern (2003)
Schmidt, M., Ratcliff II, W., Radaelli, P. G., Refson, K., Harrison, N. M., Cheong, S. W.
The transition metal spinel MgTi$_2$O$_4$ undergoes a metal-insulator transition on cooling below $T_{M-I} = 260$ K. A sharp reduction of the magnetic susceptibility below $T_{M-I}$ suggests the...
Correctable visual impairment in stroke rehabilitation patients (2000)
Lotery, A, Wiggam, M, Jackson, A, Silvestri, G, Refson, K, Fullerton, K, ...
Water Chemisorption and Reconstruction of the MgO Surface (1995)
Refson, K., Wogelius, R. A., Fraser, D. G., Payne, M. C., Lee, M. H., Milman, V.
The observed reactivity of MgO with water is in apparent conflict with theoretical calculations which show that molecular dissociation does not occur on a perfect (001) surface. We have performed...
Ophthalmic and visual profile of guide dog owners in Scotland
Refson, K, Jackson, A, Dusoir, A, Archer, D
BACKGROUND/AIMS—Out of an estimated 90 000 visually impaired people in Scotland, 509 make use of a guide dog. Initial research in Northern Ireland suggests that the ophthalmic profile of guide...