Lithiation of the Fe2P-based magnetocaloric materials: A first-principles study von Batashev, I., de Wijs, G.A., van Dijk, N.H., Brück, E.

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NMR shieldings from density functional perturbation theory : GIPAW versus all-electron calculations von de Wijs, GA, Laskowski, R, Blaha, P, Havenith, Remco, Kresse, G, Marsman, M

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Modeling the Polymorphism of Pentacene von Mattheus, Christine C, de Wijs, Gilles A, de Groot, Robert A, Palstra, Thomas T. M

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Spin-polarization in half-metals (invited) von Fang, C. M., de Wijs, G. A., de Groot, R. A.

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Towards 100% spin-polarized charge-injection: The half-metallic NiMnSb/CdS interface von de Wijs, G. A., de Groot, R. A.

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A multi-nuclear magnetic resonance and density functional theory investigation of epitaxially grown InGaP2 von Knijn, P J, van Bentum, P J M, Fang, C M, Bauhuis, G J, de Wijs, G A, Kentgens, A P M

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Anisotropy of the mobility of pentacene from frustration von de Wijs, Gilles A., Mattheus, Christine C., de Groot, Robert A., Palstra, Thomas T.M.

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Intrinsic defects and dopants in LiNH2: a first-principles study von HAZRATI, E, BROCKS, G, BUURMAN, B, DE GROOT, R. A, DE WIJS, G. A

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Anionogenic Ferromagnets von Attema, Jisk J, de Wijs, Gilles A, Blake, Graeme R, de Groot, Robert A

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The continuing drama of the half-metal/semiconductor interface von Attema, J J, de Wijs, G A, de Groot, R A

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The viscosity of liquid iron at the physical conditions of the Earth's core von Gillan, Michael J, de Wijs, Gilles A, Kresse, Georg, Vo adlo, Lidunka, Dobson, David, Alfè, Dario, Price, Geoffrey D

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First-order phase transitions by first-principles free-energy calculations: The melting of Al von de Wijs, Gilles A., Kresse, Georg, Gillan, Michael J.

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Defects in half-metals and finite temperature von Attema, J J, Fang, C M, Chioncel, L, de Wijs, G A, Lichtenstein, A I, de Groot, R A

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Local Structure and Chemical Bonding of Protonated LixMn2O4 Spinels from First Principles von FANG, C. M., DE WIJS, G. A.

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Phonon spectrum and thermal properties of cubic Si3N4 from first-principles calculations von Fang, C. M., de Wijs, G. A., Hintzen, H. T., de With, G.

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Geometry of {001} Surfaces of Spinel (MgAl2O4): First-Principles Simulations and Experimental Measurements von Van Der Laag, N. J., Fang, C. M., De With, G., De Wijs, G. A., Brongersma, H. H.

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Local structure and electronic properties of BaTaO2N with perovskite-type structure von FANG, C. M, DE WIJS, G. A, ORHAN, E, DE WITH, G, DE GROOT, R. A, HINTZEN, H. T, MARCHAND, R

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Amorphous WO3 : a first-principles approach von DE WIJS, G. A, DE GROOT, R. A

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The role of the hydrogen bonding network for the shear modulus of PIPD von Hageman, J.C.L., de Wijs, G.A., de Groot, R.A., Klop, E.A.

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Low work function of the (1000) Ca2N surface von Uijttewaal, M. A., Wijs, G. A. de, Groot, R. A. de

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