Showing results 9 to 28 of 56
< previous
next >
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 |
Jun-2019 | Designing new tunable materials for organic electronic devices | Jutglar Lozano, Kílian |
5-Feb-2016 | Disclosing the Ligand- and Solvent-Induced Changes on the Spin Transition and Optical Properties of Fe(II)-Indazolylpyridine Complexes | Vela Llausí, Sergi; Gourlaouen, Cristophe; Fumanal Quintana, María; Ribas Ariño, Jordi |
22-Jan-2015 | Dynamical effects on the magnetic properties of dithiazolyl bistable materials | Vela Llausí, Sergi; Deumal i Solé, Mercè; Shiga, Motoyuki; Novoa Vide, Juan J.; Ribas Ariño, Jordi |
6-Sep-2021 | Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles study | Hmok, HLinh; Betancourt, I.; Martínez-Aguilar, E.; Ribas Ariño, Jordi; Raymond Herrera, Oscar |
4-Feb-2020 | Effect of La3+/Sr2+ ordering on the magnetic properties of La2/3Sr1/3MnO3 by first principles calculations | Hmok, HLinh; Martínez-Aguilar, E.; Ribas Ariño, Jordi; Siqueiros, J. M.; Sanchez Llamazares, José Luis; Raymond Herrera, Oscar |
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 |
1-May-2017 | Ferromagnetice exchange in bichloride bridged Cu(II) chains: magnetostructural correlations between ordered and disordered systems | Herringer, Susan N.; Landee, Christopher P.; Turnbull, Mark M.; Ribas Ariño, Jordi; Novoa Vide, Juan J.; Polson, Matthew; Wikaira, Jan L. |
20-Mar-2023 | Fine-tuning of the spin-crossover properties of Fe(III) complexes via ligand design | Vidal, Daniel; Cirera Fernández, Jordi; Ribas Ariño, Jordi |
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. |
10-Sep-2019 | First-principles study of the coexisting ferroelectric and ferromagnetic properties of the La0.75Bi0.25CrO3 compound | Martínez-Aguilar, E.; Hmok, HLinh; Ribas Ariño, Jordi; Siqueiros, J. M. |
4-Dec-2015 | Force-induced reversal of beta-eliminations: stressed disulfide bonds in alkaline solution | Dopieralski, Przemyslaw; Ribas Ariño, Jordi; Anjukandi, Padmesh; Krupicka, Martin; Marx, Dominik |
1-Nov-2016 | Formation of long, multicenter pi-[TCNE](2)(2-) dimers in solution: solvation and stability assessed through molecular dynamics simulations | Capdevila i Cortada, Marçal; Ribas Ariño, Jordi; Chaumont, Alain; Wipff, Georges; Novoa Vide, Juan J. |
10-Jun-2021 | Insights into the magnetism and phase transitions of organic radical-based materials | Deumal i Solé, Mercè; Vela Llausí, Sergi; Fumanal Quintana, María; Ribas Ariño, Jordi; Novoa Vide, Juan J. |
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 |
17-Apr-2017 | Lattice-solvent effects in the spin-crossover of an Fe(II)-based material. The key role of intermolecular interactions between solvent molecules | Fumanal Quintana, María; Jimenez-Gravalos, Fernando; Ribas Ariño, Jordi; Vela Llausí, Sergi |