Showing results 1 to 20 of 52
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| Issue Date | Title | Author(s) |
| 2-Feb-2011 | Ab initio determination of the structure of the ferroelectric phase of SrTi18O3 | Bartkowiak, M; Kearley, GJ; Yethiraj, M; Mulders, AM |
| 1-May-2012 | Ab initio parametrized polarizable force field for rutile-type SnO2 | Miiller, W; Kearley, GJ; Ling, CD |
| 6-Feb-2015 | Adsorption of CO2 and CD4 in UiO-66: a combination of neutron diffraction and modelling | Chevreau, H; Laing, W; Kearley, GJ; Duyker, SG; D’Alessandro, DM; Peterson, VK |
| 7-Nov-2012 | Alkali metal dynamics in the β-pyrochlores A0s206 (A = K, Rb, Cs) and their prospects as thermoelectric materials | Shoko, E; Peterson, VK; Kearley, GJ |
| 2009 | Analysis of neutron-scattering data using atomistic modelling methods | Kearley, GJ; Avdeev, M |
| Mar-2009 | Anomalous lattice parameter increase in alkali earth aluminium substituted tungsten defect pyrochlores | Thorogood, GJ; Kennedy, BJ; Peterson, VK; Elcombe, MM; Kearley, GJ; Hanna, JV; Luca, V |
| Sep-2007 | Atomistic model of DNA: phonons and base-pair opening | Merzel, F; Fontaine-Vive, F; Johnson, MR; Kearley, GJ |
| 23-Aug-2008 | Cation order/disorder and local structures in alkaline earth pyrochlores | Thorogood, GJ; Kennedy, BJ; Peterson, VK; Elcombe, MM; Kearley, GJ; Hanna, JV |
| 1-Oct-2012 | Central-atom size effects on the methyl torsions of group XIV tetratolyls | Ng, MCC; Harper, JB; Stampfl, APJ; Kearley, GJ; Rols, S; Stride, JA |
| 27-Jan-2009 | Collagen and component polypeptides: low frequency and amide vibrations. | Fontaine-Vive, F; Merzel, F; Johnson, MR; Kearley, GJ |
| 2-Apr-2015 | Concentration-dependent binding of CO2 and CD4 in UiO-66 (Zr) | Chevreau, H; Liang, WB; Kearley, GJ; Duyker, SG; D'Alessandro, DM; Peterson, VK |
| 3-Feb-2010 | Copper selenide: soft phonon modes and superionic phase transition | Danilkin, SA; Yethiraj, M; Kearley, GJ |
| May-2009 | Coupled Li1+/Nb5+ and O2-/F- ordering on the Na and Cl sites of the average NaCl structure of Li4NbO4F | Norén, L; Withers, RL; Goossens, DJ; Elcombe, MM; Kearley, GJ |
| Mar-2010 | Density functional calculations of potential energy surface and charge transfer integrals in molecular triphenylene derivative HAT(6) | Zbiri, M; Johnson, MR; Kearley, GJ; Mulder, FM |
| 14-Feb-2011 | Density functional modelling of silicate and aluminosilicate dimerisation solution chemistry | White, CE; Provis, JL; Kearley, GJ; Riley, DP; van Deventer, JSJ |
| 22-Apr-2011 | Direct view on nanoionic proton mobility | Chan, WK; Haverkate, LA; Borghols, WJH; Wagemaker, M; Picken, SJ; van Eck, ERH; Kentgens, APM; Johnson, MR; Kearley, GJ; Mulder, FM |
| 22-Nov-2010 | Dispersive kinetics in discotic liquid crystals | Kruglova, O; Mulder, FM; Kearley, GJ; Picken, SJ; Stride, JA; Paraschiv, I; Zuilhof, H |
| 23-May-2016 | Driving forces for the phase transition of CuQ2-TCNQ molecular crystals | Yu, DH; Kearley, GJ; Liu, G; Mole, RA; McIntyre, GJ; Tao, X |
| Jan-2010 | Dynamical transition in a large globular protein: macroscopic properties and glass transition | Kealley, CS; Sokolova, AV; Kearley, GJ; Kemner, E; Russina, M; Faraone, A; Hamilton, WA; Gilbert, EP |
| Jan-2011 | The effect of host relaxation and dynamics on guest molecule dynamics in H2/tetrahydrofuran-hydrate | Peterson, VK; Shoko, E; Kearley, GJ |
