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Results 1-10 of 33
Publication DateTitleAuthor(s)
1-Jan-2004Metal-insulator and magnetic transition of NiO at high pressuresFeng, XB; Harrison, NM
1-Apr-2007Magnetic moment and coupling mechanism of iron-doped rutile TiO2 from first principlesMallia, G; Harrison, NM
18-Oct-1996First-principles molecular dynamics simulation of water dissociation on TiO2(110)Lindan, PJD; Harrison, NM; Holender, JM; Gillan, MJ
1-Jan-1997Ab initio simulation of molecular processes on oxide surfacesLindan, PJD; Muscat, J; Bates, S; Harrison, NM; Gillan, M
1-May-2006Theoretical analysis of strain and strain decay in InAs/GaAs(001) multilayer quantum dot growthTomic, S; Howe, P; Harrison, NM; Jones, TS
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-Feb-2005Structure and properties of ilmenite from first principlesWilson, NC; Muscat, J; Mkhonto, D; Ngoepe, PE; Harrison, NM
1-Jul-2004Magnetic properties of polymerized C-60: The influence of defects and hydrogenChan, JA; Montanari, B; Gale, JD; Bennington, SM; Taylor, JW, et al
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