| Issue Date | Title | Author(s) |
| 10-Sep-2014 | Computational Modeling of Molecular Magnetic Materials | Vela Llausí, Sergi |
| 18-Nov-2013 | Dividing the Spoils: Role of Pyrazine Ligands and Perchlorate Counterions in the Magnetic Properties of Bis(pyrazine)diperchloratecopper(II), [Cu(pz)<sub>2</sub>](ClO<sub>4</sub>)<sub>2</sub> | Vela Llausí, Sergi; Jornet Somoza, Joaquim; Turnbull, Mark M.; Feyerherm, Ralf; Novoa Vide, Juan J.; Deumal i Solé, Mercè |
| 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 |
| 3-Nov-1998 | Estudi teòric del magnetisme en cristalls moleculars: mecanismes d'interacció i empaquetament | Deumal i Solé, Mercè |
| 15-Nov-2010 | Estudi Teòric mitjançant Mètodes "Bottom-Up" de la Interacció Magnètica en Sòlids Moleculars | Jornet Somoza, Joaquim |
| 16-Feb-2024 | First principles evaluation of structure and properties of multifunctional materials | Santiago Piera, Raul |
| 2004 | A first-principles analysis of the magnetism of CuII polynuclear coordination complexes: the case of [Cu4(bpy)4(aspartate)2(H2O)3](ClO4)4·2.5H2O | Deumal i Solé, Mercè; Ribas Ariño, Jordi; Robb, Michael A.; Ribas Gispert, Joan; Novoa Vide, Juan J. |
| 20-Aug-2012 | Tracing the sources of the different magnetic behavior in the two phases of the bistable (BDTA)2[Co(mnt)2] compound | Vela Llausí, Sergi; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Novoa Vide, Juan J. |
| Jan-2023 | Triggering the Sign of Magnetic Exchange Coupling in BTBNbased compounds by means of the spin polarisation mechanism | Franquesa Viñas, Pau |
| 28-Apr-2020 | Two different mechanisms of stabilization of regular pi-stacks of radicals in switchable dithiazolyl-based materials | Francese, Tommaso; Vela Llausí, Sergi; Deumal i Solé, Mercè; Mota Valeri, Fernando; Novoa Vide, Juan J.; Camellone, Matteo Farnesi; Fabris, Stefano; Havenith, Remco W. A.; Broer, Ria; Ribas Ariño, Jordi |
