DSpace at RU >

Search Results

Results 1-50 of 50.

Item hits:

Full Text	Issue Date	Title	Author(s)
	2012	Switchable fermi surface sheets in greigite	Zhang, B.; Wijs, G.A. de; Groot, R.A. de
	2012	First-principles study of libh4 nanoclusters and their hydrogen storage properties	Hazrati, E.; Brocks, G.; Wijs, G.A. de
	2011	Intrinsic defects and dopants in linh(2): A first-principles study	Hazrati, E.; Brocks, G.; Buurman, B.; Groot, R.A. de; Wijs, G.A. de
	2011	Native defects and the dehydrogenation of nabh(4)	Cakir, D.; Wijs, G.A. de; Brocks, G.
	2011	Optical response of the sodium alanate system: Gw(0)-bse calculations and thin film measurements	Setten, M.J. van; Gremaud, R.; Brocks, G.; Dam, B.; Kresse, G.; Wijs, G.A. de
	2011	Mixed magnetism for refrigeration and energy conversion	Dung, N.H.; Ou, Z.Q.; Caron, L.; Zhang, L.; Thanh, D.T.C.; Wijs, G.A. de; Groot, R.A. de; Buschow, K.H.J.; Bruck, E.
	2011	Hydrogen bonding and chemical shift assignments in carbazole functionalized isocyanides from solid-state nmr and first-principles calculations	Gowda, C.M.; Vasconcelos, F.; Schwartz, E.; Eck, E.R.H. van; Marsman, M.; Cornelissen, J.J.L.M.; Rowan, A.E.; Wijs, G.A. de; Kentgens, A.P.M.
	2010	First-principles modelling of magnesium titanium hydrides	Er, S.; Setten, M.J. van; Wijs, G.A. de; Brocks, G.
	2010	Structural models of a-Si:H with a low defect concentration: A first-principles molecular dynamics study	Jarolimek, K.; Wijs, G.A. de; Groot, R.A. de; Zeman, M.
	2010	Tuning the Hydrogen Storage in Magnesium Alloys	Er, S.; Wijs, G.A. de; Brocks, G.
	2010	Atomistic models of hydrogenated amorphous silicon nitride from first principles	Jarolimek, K.; Groot, R.A. de; Wijs, G.A. de; Zeman, M.
	2010	A solid-state NMR and DFT study of compositional modulations in AlxGa1-xAs	Knijn, P.J.; Bentum, P.J.M. van; Eck, E.R.H. van; Fang, C.M.; Grimminck, D.L.A.G.; Groot, R.A. de; Havenith, R.W.A.; Marsman, M.; Meerts, W.L.; Wijs, G.A. de; Kentgens, A.P.M.
	2009	First-principles study of hydrogenated amorphous silicon	Jarolimek, K.; Groot, R.A. de; Wijs, G.A. de; Zeman, M.
	2009	DFT Study of Planar Boron Sheets: A New Template for Hydrogen Storage	Er, S.; Wijs, G.A. de; Brocks, G.
	2009	Hydrogen Storage by Polylithiated Molecules and Nanostructures	Er, S.; Wijs, G.A. de; Brocks, G.
	2009	Modeling and analysis of the three-dimensional current density in sandwich-type single-carrier devices of disordered organic semiconductors	Holst, J.J.M. van der; Uijttewaal, M.A.; Balasubramanian, R.; Coehoorn, R.; Bobbert, P.A.; Wijs, G.A. de; Groot, R.A. de
	2009	Tunable hydrogen storage in magnesium-transition metal compounds: First-principles calculations	Er, S.; Tiwari, D.; Wijs, G.A. de; Brocks, G.
	2009	First-principles study of the optical properties of MgxTi1-xH2	Setten, M.J. van; Er, S.; Brocks, G.; Groot, R.A. de; Wijs, G.A. de
	2009	Publisher's Note: Modeling and analysis of the three-dimensional current density in sandwich-type single-carrier devices of disordered organic semiconductors [Phys. Rev. B 79, 085203 (2009)]	Holst, J.J.M. van der; Uijttewaal, M.A.; Ramachandhran, B.; Coehoorn, R.; Bobbert, P.A.; Wijs, G.A. de; Groot, R.A. de
	2008	A density functional study of alpha-Mg(BH4)(2)	Setten, M.J. van; Wijs, G.A. de; Fichtner, M.; Brocks, G.
	2008	A theoretical study of the stable radicals galvinoxyl, azagalvinoxyl and Wurster's blue perchlorate in the solid-state	Havenith, R.; Wijs, G. de; Attema, J.J.; Niermann, N.; Speller, S.; Groot, R.A. de
	2008	First-principles calculations of the crystal structure, electronic structure, and thermodynamic stability of Be(BH4)(2)	Setten, M.J. van; Wijs, G.A. de
	2008	Electronic band structure of tetracene-TCNQ and perylene-TCNQ compounds	Shokaryev, I.; Buurma, A.J.C.; Jurchescu, O.D.; Uijttewaal, M.A.; Wijs, G.A. de; Palstra, T.T.M.; Groot, R.A. de
	2008	Work function anisotropy and surface stability of half-metallic CrO2	Attema, J.J.; Uijttewaal, M.A.; Wijs, G.A. de; Groot, R.A. de
	2008	Spin tunneling in junctions with disordered ferromagnets	Paluskar, P.V.; Attema, J.J.; Wijs, G.A. de; Fiddy, S.; Snoeck, E.; Kohlhepp, J.T.; Swagten, H.J.M.; Groot, R.A. de; Koopmans, B.
	2008	Theoretical study of the stable radicals galvinoxyl, azagalvinoxyl and Wurster's blue perchlorate in the solid state	Havenith, R.W.A.; Wijs, G.A. de; Attema, J.J.; Niermann, P.N.L.C.M.; Speller, S.; Groot, R.A. de
	2007	Spintronic materials based on main-group elements	Attema, J.J.; Wijs, G.A. de; Groot, R.A. de
	2007	Thermodynamic stability of boron : The role of defects and zero point motion	Setten, M.J. van; Uijttewaal, M.A.; Wijs, G.A. de; Groot, R.A. de
	2007	Optimizing performance of half-metals at finite temperature	Attema, J.J.; Wijs, G.A. de; Groot, R.A. de
	2007	A model for the formation energies of alanates and boranates	Setten, M.J. van; Wijs, G.A. de; Brocks, G.
	2007	A first-principles study of the electronic structure and stability of Be(BH4)2	Setten, M.J. van; Wijs, G.A. de; Brocks, G.
	2007	Ab initio study of the effects of transition metal doping of Mg2NiH4	Setten, M.J. van; Wijs, G.A. de; Brocks, G.
	2007	Crystal growth, structure, and electronic band structure of tetracene-TCNQ	Buurma, A.J.C.; Jurchescu, O.D.; Shokaryev, I.; Baas, J.; Meetsma, A.; Wijs, G.A. de; Groot, R.A. de; Palstra, T.T.M.
	2007	Lattice and local-mode vibrations in anhydrous and protonized LiMn2O4 spinels from first-principles theory	Fang, C.M.; Wijs, G.A. de; Loong, C.K.; With, G. de
	2007	Electronic structure and optical properties of lightweight metal hydrides	Setten, M.J. van; Popa, V.A.; Wijs, G.A. de; Brocks, G.
	2006	Ab initio and work function and surface energy anisotropy of LaB6	Uijttewaal, M.A.; Wijs, G.A. de; Groot, R.A. de
	2006	Generalised coexistence of a low work function and a stable surface: CaAl4 and BaAuIn3	Uijttewaal, M.A.; Wijs, G.A. de; Groot, R.A. de
	2006	Local structure and chemical bonding of protonated LixMn2O4 spinels from first principles	Fang, C.M.; Wijs, G.A. de
	2006	The continuing drama of the half-metal/semiconductor interface	Attema, J.J.; Wijs, G.A. de; Groot, R.A. de
	2005	The role of the hydrogen bonding network for the shear modulus of PIPD	Hageman, J.C.L.; Wijs, G.A. de; Groot, R.A. de; Klop, E.A.
	2005	Quantum mechanics calculations on the diastereomeric salts of cyclic phosphoric acids with ephedrine	Schaftenaar, G.; Wijs, G.A. de; Sanchez-Portal, D.; Vlieg, E.
	2005	Interrelation of work function and surface stability: The case of BaAl4	Uijttewaal, M.A.; Wijs, G.A. de; Groot, R.A. de; Coehoorn, R.; Elsbergen, V. van; Weijtens, C.H.L.
	2005	Ab initio study of Mg(AlH4)(2)	Setten, M.J. van; Wijs, G.A. de; Popa, V.A.; Brocks, G.
	2005	Geometry of {001} surfaces of spinel (MgAl2O4): First-principles simulations and experimental measurements	Laag, N.J. van der; Fang, C.M.; With, G. de; Wijs, G.A. de; Brongersma, H.H.
	2005	Tunable spin transport in CrAs: Role of correlation effects	Chioncel, L.; Katsnelson, M.I.; Wijs, G.A. de; Groot, R.A. de; Lichtenstein, A.I.
	2005	Anionogenic ferromagnets	Attema, J.J.; Wijs, G.A. de; Blake, G.R.; Groot, R.A. de
	2004	Defects in half-metals and finite temperature	Attema, J.J.; Fang, C.M.; Chioncel, L.; Wijs, G.A. de; Lichtenstein, A.I.; Groot, R.A. de
	2004	Lattice vibrations and thermal properties of carbon nitride with defect ZnS structure from first-principles calculations	Fang, C.M.; Wijs, G.A. de
	2004	Low work function of the (1000) Ca2N surface	Uijttewaal, M.A.; Wijs, G.A. de; Groot, R.A. de
	1996	Electronic structure of Li12Si7	Leuken, H. van; Wijs, G.A. de; Lugt, W. van der; Groot, R.A. de

1