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Results: 1-7 |
Results: 7

Authors: Noguera, C Mackrodt, WC
Citation: C. Noguera et Wc. Mackrodt, Ab initio study of ground and excited states of NiO(100) monolayer, J PHYS-COND, 12(10), 2000, pp. 2163-2181

Authors: Mackrodt, WC Gotsis, HJ
Citation: Wc. Mackrodt et Hj. Gotsis, First-principles study of ground, excitonic, and hole states in Sr2CuO3, PHYS REV B, 62(16), 2000, pp. 10728-10736

Authors: Mackrodt, WC Noguera, C
Citation: Wc. Mackrodt et C. Noguera, Bulk and (100) surface d -> d excitation energies in NiO from first-principles Hartree-Fock calculations, SURF SCI, 457(1-2), 2000, pp. L386-L390

Authors: Mackrodt, WC Jollet, F Gautier-Soyer, M
Citation: Wc. Mackrodt et al., A first-principles Hartree-Fock interpretation of the X-ray oxygen K-edge spectrum of haematite (alpha-Fe2O3), PHIL MAG B, 79(1), 1999, pp. 25-36

Authors: Mackrodt, WC Noguera, C Allan, NL
Citation: Wc. Mackrodt et al., A study of the electronic, magnetic, structural and dynamic properties of low-dimensional NiO on MgO(100) surfaces, FARADAY DIS, (114), 1999, pp. 105-127

Authors: Taylor, MB Sims, CE Barrera, GD Allan, NL Mackrodt, WC
Citation: Mb. Taylor et al., Quasiharmonic free energy and derivatives for slabs: Oxide surfaces at elevated temperatures, PHYS REV B, 59(10), 1999, pp. 6742-6751

Authors: Mackrodt, WC
Citation: Wc. Mackrodt, First principles Hartree-Fock description of lithium insertion in oxides I. The end members TiO2 and LiTiO2 of the system LixTiO2, J SOL ST CH, 142(2), 1999, pp. 428-439
Risultati: 1-7 |