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Results 101-110 of 118 (Search time: 0.05 seconds).
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Issue DateTitleAuthor(s)
2006Importance of the embedding environment on the strain within small rings in siliceous materialsBromley, Stefan Thomas; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Wojdel, Jacek C.
2007First principles LDA+U and GGA+U study of cerium oxides: Dependence on the effective U-parameterLoschen, Christoph; Carrasco Rodríguez, Javier; Neyman, Konstantin M.; Illas i Riera, Francesc
2002Effective t-J model Hamiltonian parameters of monolayered cuprate superconductors from ab initio electronic structure calculationsMuñoz Ramos, David; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
2002Magnetic structure of Li2CuO2: From ab initio calculations to macroscopic simulationsGraff, Cohen de; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Iglesias, Òscar; Labarta, Amílcar
2002Derivation of spin Hamiltonians from the exact Hamiltonian: Application to systems with two unpaired electrons per magnetic siteMoreira, Ibério de Pinho Ribeiro; Suaud, N.; Guihery, N.; Malrieu, J. P.; Caballol Lorenzo, Rosa; Bofill i Villà, Josep M.; Illas i Riera, Francesc
2003Adsorption energy and spin state of first-row transition metals adsorbed on MgO(100)Markovits, A.; Paniagua, Juan Carlos; López, Núria (López Alonso); Minot, C.; Illas i Riera, Francesc
2002Rigorous characterization of oxygen vacancies in ionic oxidesMori-Sánchez, P.; Recio, J. M.; Silvi, B.; Sousa Romero, Carmen; Martín Pendás, A.; Luaña, Víctor; Illas i Riera, Francesc
2003Ab initio periodic approach to electronic structure and magnetic exchange in A2CUO2X2 (A=Ca,Sr and X=F,Cl) High-Tc superconductor parent compoundsMoreira, Ibério de Pinho Ribeiro; Dovesi, R.
2000Ab initio study of MF2 (M=Mn, Fe, Co, Ni) rutile-type compounds using the periodic unrestricted Hartree-Fock approachMoreira, Ibério de Pinho Ribeiro; Dovesi, R.; Roetti, C.; Saunders, Víctor R.; Orlando, Roberto
29-Jul-2009Electrospun materials as potential platforms for bone tissue engineeringJang, Jun-Hyeog; Castaño Linares, Óscar; Kim, Hae-Won