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| Issue Date | Title | Author(s) |
|---|---|---|
| 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 |
| 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 |
| 25-Feb-2015 | On the mechanism of phenolic formylation mediated by TiCl4 complexes: existence of diradical intermediates induced by valence tautomerism | Heras, Carlos, 1986-; Ramos Tomillero, Iván; Caballero Puig, Marc; Paradís Bas, Marta; Nicolás Galindo, Ernesto; Albericio Palomera, Fernando; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M. |
| 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-Apr-2018 | Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear Complexes | Costa Sala, Ramon; Reta Mañeru, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 6-Jan-2014 | Remarks on the exact energy functional for fermions: an analysis using the Löwdin partitioning technique | Caballero Puig, Marc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M. |
| 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 |
| 7-May-2018 | Towards an efficient transition state and reaction path searching algorithm based on gentlest ascent dynamics and the shrinking dimer methods | Albareda, Guillermo; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang; Rubio Martínez, Jaime |
| 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 |
| 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 |
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