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Issue DateTitleAuthor(s)
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-Oct-2004First-principles study of H intercalation in rutile TiO2Koudriachova, MV; de Leeuw, SW; Harrison, NM
1-Feb-2004Orthorhombic distortion on Li intercalation in anataseKoudriachova, MV; de Leeuw, SW; 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
6-Feb-2004Spin singlet formation in MgTi2O4: Evidence of a helical dimerization patternSchmidt, M; Ratcliff, W; Radaelli, PG; Refson, K; Harrison, NM, et al
1-Apr-2004Electronic structure of CaCuO2 from the B3LYP hybrid density functionalFeng, XB; Harrison, NM