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Results 1-10 of 98
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Issue DateTitleAuthor(s)
1-Feb-2009Chemical Imaging of Live Cancer Cells in the Natural Aqueous EnvironmentKuimova, MK; Chan, KLA; Kazarian, SG
1-Jan-2009Electronic structure of III-V’s semiconductors from B3LYP and PBE0 functionalsTomic, S; Harrison, NM; Caldas MJ, Studart N
8-Apr-2009Parameters Influencing the Efficiency of Electron Injection in Dye-Sensitized Solar CellsKoops, SE; O'Regan, BC; Barnes, PRF; Durrant, JR
15-Aug-2007CASSCF calculations for photoinduced processes in large molecules: Choosing when to use the RASSCF, ONIOM and MMVB approximationsBearpark, MJ; Ogliaro, F; Vreven, T; Boggio-Pasqua, M; Frisch, MJ, et al
1-Jan-2008The role of adsorbed hydroxyl species in the electrocatalytic carbon monoxide oxidation reaction on platinumKucernak, AR; Offer, GJ
31-Dec-2007Ab Initio Surface Thermodynamics in Multi Component EnvironmentBailey, CL; Wander, A; Mukhopadhyay, S; Searle, BG; Harrison, NM
1-Jan-2009Towards robust alkane oxidation catalysts: electronic variations in non-heme iron(II) complexes and their effect in catalytic alkane oxidationEngland, J; Gondhia, R; Bigorra-Lopez, L; Petersen, AR; White, AJP, et al
31-Dec-2006Towards a quantum Monte Carlo approach based on path resummationsAJW, T
9-Aug-2007Tert-butylamidinate tin(ii) complexes: high activity, single-site initiators for the controlled production of polylactide.Nimitsiriwat, N; Gibson, VC; Marshall, EL; White, AJ; Dale, SH, et al
1-Aug-2008Computer simulations and thermodynamics of anisotropic nanoparticles at fluid interfacesBresme, F