Showing results 1 to 20 of 44
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| Issue Date | Title | Author(s) |
| 4-Nov-2020 | 2D Hexagonal covalent organic radical frameworks as tunable correlated electron systems | Santiago Piera, Raul; Alcón Rovira, Isaac; Ribas Ariño, Jordi; Deumal i Solé, Mercè; Moreira, Ibério de Pinho Ribeiro; Bromley, Stefan Thomas |
| 19-Jan-2018 | A 2D rhomboidal system of manganese(II) [Mn(3-MeC6H4COO)2(H2O)2]n with spin canting: rationalization of the magnetic exchange | Garcia-Cirera, B.; Costa Sala, Ramon; Moreira, Ibério de Pinho Ribeiro; Font Bardia, Ma. Mercedes; Corbella i Cordomí, Montserrat |
| 17-Jan-2023 | A Catastrophe Theory Based Model for Optimal Control of Chemical Reactions by means of Oriented Electric Fields | Bofill i Villà, Josep M.; Quapp, Wolfgang; Moreira, Ibério de Pinho Ribeiro; Ribas Ariño, Jordi; Severi, Marco; Albareda, Guillermo |
| 2003 | Ab initio periodic approach to electronic structure and magnetic exchange in A2CUO2X2 (A=Ca,Sr and X=F,Cl) High-Tc superconductor parent compounds | Moreira, Ibério de Pinho Ribeiro; Dovesi, R. |
| 1999 | Ab Initio study of magnetic interactions in the KCuF3 and K2CuF4 low-dimensional Systems | Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 2000 | Ab initio study of MF2 (M=Mn, Fe, Co, Ni) rutile-type compounds using the periodic unrestricted Hartree-Fock approach | Moreira, Ibério de Pinho Ribeiro; Dovesi, R.; Roetti, C.; Saunders, Víctor R.; Orlando, Roberto |
| 1999 | Ab initio study of the magnetic interactions in the spin-ladder compound SrCu2O3 | Graaf, Coen de; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Martin, Richard L. |
| 1997 | Ab initio theoretical comparative study of magnetic coupling in KNiF3 and K2NiF4s | Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 1997 | Absence of collective effects in Heisenberg systems with localized magnetic moments | Illas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Graaf, Coen de; Castell, O.; Casanovas Salas, Jordi |
| 2000 | Accurate prediction of large antiferromagnetic interactions in High-Tc HgBa2Can-1CunO2n+2+delta (n = 2,3) superconductor parent compounds | Muñoz Ramos, David; Illas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro |
| 19-Sep-2023 | An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system | Bofill i Villà, Josep M.; Severi, Marco; Quapp, Wolfgang; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro; Albareda, Guillermo |
| 6-Sep-2024 | Computational modelling of 2D carbon-based materials with tunable electronic properties | Lleopart Motis, Genís |
| 2022 | Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method | Bofill i Villà, Josep M.; Quapp, Wolfgang; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Ribas Ariño, Jordi |
| 17-Mar-2021 | Controlling pairing of pi-conjugated electrons in 2D covalent organic radical frameworks via in-plane strain | Alcón Rovira, Isaac; Santiago Piera, Raul; Ribas Ariño, Jordi; Deumal i Solé, Mercè; Moreira, Ibério de Pinho Ribeiro; Bromley, Stefan Thomas |
| 2002 | Derivation of spin Hamiltonians from the exact Hamiltonian: Application to systems with two unpaired electrons per magnetic site | Moreira, Ibério de Pinho Ribeiro; Suaud, N.; Guihery, N.; Malrieu, J. P.; Caballol Lorenzo, Rosa; Bofill i Villà, Josep M.; Illas i Riera, Francesc |
| 2002 | Effect of Fock exchange on the electronic structure and magnetic coupling in NiO | Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Martin, Richard L. |
| 2002 | Effective t-J model Hamiltonian parameters of monolayered cuprate superconductors from ab initio electronic structure calculations | Muñoz Ramos, David; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 15-Dec-2018 | Electronic structure and properties of multifunctional systems: bisdithiazolyl-based materials | Roncero, Cristina; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro |
| 6-Mar-2023 | Emergent Spin Frustration in Neutral Mixed-Valence 2D Conjugated Polymers: A Potential Quantum Materials Platform | Alcón, Isaac; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro; Bromley, Stefan Thomas |
| 2018 | Estructura electrònica i propietats de sistemes multifuncionals: materials derivats del bisditiazolil | Roncero, Cristina; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro |
