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Browsing by Author Kearley, GJ

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Issue DateTitleAuthor(s)
1-May-2012Ab initio parametrized polarizable force field for rutile-type SnO2Miiller, W; Kearley, GJ; Ling, CD
Mar-2009Anomalous 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-2007Atomistic model of DNA: phonons and base-pair opening.Merzel, F; Fontaine-Vive, F; Johnson, MR; Kearley, GJ
27-Jan-2009Collagen and component polypeptides: low frequency and amide vibrations.Fontaine-Vive, F; Merzel, F; Johnson, MR; Kearley, GJ
May-2009Coupled Li1+/Nb5+ and O2-/F- ordering on the Na and Cl sites of the average NaCl structure of Li4NbO4F.Noren, L; Withers, RL; Goossens, DJ; Elcombe, MM; Kearley, GJ
Mar-2010Density 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-2011Density functional modelling of silicate and aluminosilicate dimerisation solution chemistry.White, CE; Provis, JL; Kearley, GJ; Riley, DP; van Deventer, JSJ
22-Apr-2011Direct View on Nanoionic Proton MobilityChan, WK; Haverkate, LA; Borghols, WJH; Wagemaker, M; Picken, SJ; van Eck, ERH; Kentgens, APM; Johnson, MR; Kearley, GJ; Mulder, FM
22-Nov-2010Dispersive kinetics in discotic liquid crystals.Kruglova, O; Mulder, FM; Kearley, GJ; Picken, SJ; Stride, JA; Paraschiv, I; Zuilhof, H
Jan-2010Dynamical 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
2-Aug-2010High water diffusivity in low hydration plasma-polymerised proton exchange membranes.Peterson, VK; Corr, C; Kearley, GJ; Boswell, R; Izaola, Z
3-Jul-2008Hydrogen adsorption strength and sites in the metal organic framework MOF5: comparing experiment and model calculations.Mulder, FM; Dingemans, TJ; Schimmel, HG; Ramirez-Cuesta, AJ; Kearley, GJ
23-Jun-2008Hydrogen in porous tetrahydrofuran clathrate hydrate.Mulder, FM; Wagemaker, M; van Eijck, L; Kearley, GJ
12-Dec-2013Inelastic neutron scattering analysis of the thermal decomposition of kaolinite to metakaolinWhite, CE; Kearley, GJ; Provis, JL; Riley, DP
12-Jan-2010Local vibrational mechanism for negative thermal expansion: a combined neutron scattering and first-principles study.Peterson, VK; Kearley, GJ; Wu, Y; Ramirez-Cuesta, AJ; Kemner, E; Kepert, CJ
20-Aug-2009Localized relaxational dynamics of succinonitrile.van Eijck, L; Best, AS; Long, S; Fernandez-Alonso, F; MacFarlane, D; Forsyth, M; Kearley, GJ
8-Mar-2012Methyl Dynamics Flattens Barrier to Proton Transfer in Crystalline TetraacetylethaneKearley, GJ; Stare, J; Kutteh, R; Daemen, LL; Hartl, MA; Eckert, J
31-Oct-2013Molecular dynamics evidence for alkali-metal rattling in the beta-pyrochlores, AOs(2)O(6) (A = K, Rb, Cs)Shoko, E; Peterson, VK; Kearley, GJ
26-Mar-2010Molecular modelling of ground- and excited-states vibrations in organic conducting devices: hexakis(n-hexyloxy)triphenylene (HAT(6)) as case study.Zbiri, M; Johnson, MR; Haverkate, L; Mulder, FM; Kearley, GJ
9-Apr-2013Negative thermal expansion in LnCo(CN)6 (Ln=La, Pr, Sm, Ho, Lu, Y): mechanisms and compositional trendsDuyker, SG; Peterson, VK; Kearley, GJ; Ramirez-Cuesta, AJ; Kepert, CJ
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