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Results 1-10 of 35
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Issue DateTitleAuthor(s)
1-Feb-2007Electronic structure and magnetic properties of graphitic ribbonsPisani, L; Chan, JA; Montanari, B; Harrison, NM
1-Sep-2004Magnetic coupling constants from a hybrid density functional with 35% Hartree-Fock exchangeFeng, XB; Harrison, NM
1-Jan-2004Metal-insulator and magnetic transition of NiO at high pressuresFeng, XB; Harrison, NM
1-May-2006Theoretical analysis of strain and strain decay in InAs/GaAs(001) multilayer quantum dot growthTomic, S; Howe, P; Harrison, NM; Jones, TS
1-Apr-2007Magnetic moment and coupling mechanism of iron-doped rutile TiO2 from first principlesMallia, G; Harrison, NM
22-Jan-2002Surface model and exchange-correlation functional effects on the description of Pd/alpha-Al2O3(0001)Gomes, JRB; Illas, F; Hernandez, NC; Sanz, JF; Wander, A, et al
1-Jan-1997Ab initio simulation of molecular processes on oxide surfacesLindan, PJD; Muscat, J; Bates, S; Harrison, NM; Gillan, M
24-Jun-2005Revisiting the surface structure of TiO2(110): A quantitative low-energy electron diffraction studyLindsay, R; Wander, A; Ernst, A; Montanari, B; Thornton, G, et al
5-Jul-1999A density functional study of lithium bulk and surfacesDoll, K; Harrison, NM; Saunders, VR
1-Jul-2005High-pressure phases of FeTiO3 from first principlesWilson, NC; Russo, SP; Muscat, J; Harrison, NM