Browsing by Author Moreira, Ibério de Pinho Ribeiro
Showing results 12 to 31 of 43
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| Issue Date | Title | Author(s) |
|---|---|---|
| 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 |
| 5-Dec-2017 | Existence of multi-radical and closed-shell semiconducting states in post-graphene organic Dirac materials | Alcón Rovira, Isaac; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Bromley, Stefan Thomas |
| 7-Sep-2017 | Experimental and computational evidence of the biradical structure and reactivity of titanium(IV) enolates | Heras, Carlos, 1986-; Gómez-Palomino, A.; Romea, Pedro; Urpí Tubella, Fèlix; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro |
| 2004 | Extent and limitations of density functional theory in describing magnetic systems | Illas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.; Filatov, M. |
| 2006 | First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductors | Moreira, Ibério de Pinho Ribeiro; Calzado, C. J.; Malrieu, J. P.; Illas i Riera, Francesc |
| 26-Mar-2015 | Formylation of electron-rich aromatic rings mediated by dichloromethyl methyl ether and TiCl4: scope and limitations | Ramos Tomillero, Iván; Paradís Bas, Marta; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.; Nicolás Galindo, Ernesto; Albericio Palomera, Fernando |
| 26-Oct-2022 | Highly Adiabatic Time-Optimal Quantum Driving at Low Energy Cost | Garcia, Lluc; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Albareda, Guillermo |
| 5-Jul-2023 | How does thickness affect magnetic coupling in Ti-based MXenes | García-Romeral, Néstor; Morales García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 2006 | Importance of the embedding environment on the strain within small rings in siliceous materials | Bromley, Stefan Thomas; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Wojdel, Jacek C. |
| 21-Aug-2019 | Interplay between the gentlest ascent dynamics method and conjugate directions to locate transition states | Bofill i Villà, Josep M.; Ribas Ariño, Jordi; Valero Montero, Rosendo; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang |
| 1999 | Local character of magnetic coupling in ionic solids | Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Calzado, C. J.; Sanz, J. F.; Malrieu, J. P.; Ben Amor, N.; Maynau, D. |
| 11-Jul-2014 | Long, Multicenter Bonding Present in Radical-Radical Interactions: A Computational Study | Capdevila i Cortada, Marçal |
| 27-May-2016 | Magnetic coupling constants in three electrons three centres problems from effective Hamiltonian theory and validation of broken symmetry based approaches | Reta Mañeru, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |