Browsing by Author Moreira, Ibério de Pinho Ribeiro

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Issue DateTitleAuthor(s)
4-Nov-20202D Hexagonal covalent organic radical frameworks as tunable correlated electron systemsSantiago Piera, Raul; Alcón Rovira, Isaac; Ribas Ariño, Jordi; Deumal i Solé, Mercè; Moreira, Ibério de Pinho Ribeiro; Bromley, Stefan Thomas
19-Jan-2018A 2D rhomboidal system of manganese(II) [Mn(3-MeC6H4COO)2(H2O)2]n with spin canting: rationalization of the magnetic exchangeGarcia-Cirera, B.; Costa Sala, Ramon; Moreira, Ibério de Pinho Ribeiro; Font Bardia, Ma. Mercedes; Corbella i Cordomí, Montserrat
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.
1999Ab Initio study of magnetic interactions in the KCuF3 and K2CuF4 low-dimensional SystemsMoreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
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
1999Ab initio study of the magnetic interactions in the spin-ladder compound SrCu2O3Graff, Cohen de; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Martin, Richard L.
1997Ab initio theoretical comparative study of magnetic coupling in KNiF3 and K2NiF4sMoreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
1997Absence of collective effects in Heisenberg systems with localized magnetic momentsIllas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Graaf, Cohen de; Castell, O.; Casanovas Salas, Jordi
2000Accurate prediction of large antiferromagnetic interactions in High-Tc HgBa2Can-1CunO2n+2+delta (n = 2,3) superconductor parent compoundsMuñoz Ramos, David; Illas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro
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
2002Effect of Fock exchange on the electronic structure and magnetic coupling in NiOMoreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Martin, Richard L.
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
15-Dec-2018Electronic structure and properties of multifunctional systems: bisdithiazolyl-based materialsRoncero, Cristina; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro
2018Estructura electrònica i propietats de sistemes multifuncionals: materials derivats del bisditiazolilRoncero, Cristina; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro
5-Dec-2017Existence of multi-radical and closed-shell semiconducting states in post-graphene organic Dirac materialsAlcón Rovira, Isaac; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Bromley, Stefan Thomas
7-Sep-2017Experimental and computational evidence of the biradical structure and reactivity of titanium(IV) enolatesHeras, Carlos; Gómez-Palomino, A.; Romea, Pedro; Urpí Tubella, Fèlix; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro
2004Extent and limitations of density functional theory in describing magnetic systemsIllas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.; Filatov, M.
2006First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductorsMoreira, Ibério de Pinho Ribeiro; Calzado, C. J.; Malrieu, J. P.; Illas i Riera, Francesc
26-Mar-2015Formylation of electron-rich aromatic rings mediated by dichloromethyl methyl ether and TiCl4: scope and limitationsRamos Tomillero, Iván; Paradís Bas, Marta; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.; Nicolás Galindo, Ernesto; Albericio Palomera, Fernando
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.