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Results 11-20 of 26
Item hits:
Issue DateTitleAuthor(s)
1-Aug-2001The stability of polar oxide surfaces: The interaction of H2O with ZnO(0001) and ZnO(000(1)over-bar)Wander, A; Harrison, NM
15-Jun-2002Density-functional simulations of lithium intercalation in rutileKoudriachova, MV; Harrison, NM; de Leeuw, SW
1-Jun-2002First-principles calculations of the phase stability of TiO2Muscat, J; Swamy, V; Harrison, NM
1-Feb-2004Orthorhombic distortion on Li intercalation in anataseKoudriachova, MV; de Leeuw, SW; Harrison, NM
23-Apr-2001Stability of polar oxide surfacesWander, A; Schedin, F; Steadman, P; Norris, A; McGrath, R, et al
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
1-Feb-2004Electronic and magnetic structure of LaMnO3 from hybrid periodic density-functional theoryMunoz, D; Harrison, NM; Illas, F
5-Mar-2001Analytical Hartree-Fock gradients for periodic systemsDoll, K; Saunders, VR; Harrison, NM
1-Jun-2001First principles simulation of surfaces and interfacesHarrison, NM