Showing results 1 to 20 of 57
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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 |
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 |
21-Dec-2021 | Accurate calculation of spin-state energy gaps in Fe(iii) spin-crossover systems using density functional methods | Vidal, Daniel; Cirera Fernández, Jordi; Ribas Ariño, Jordi |
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 |
1-Aug-2017 | An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysis | Bofill i Villà, Josep M.; Ribas Ariño, Jordi; García, Sergio Pablo; Quapp, Wolfgang |
13-Apr-2017 | Analysis of the acting forces in a theory of catalysis and mechanochemistry | Quapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi |
19-Jan-2021 | Barnes Update Applied in the Gauss−Newton Method: An Improved Algorithm to Locate Bond Breaking Points | Bofill i Villà, Josep M.; Valero Montero, Rosendo; Ribas Ariño, Jordi; Quapp, Wolfgang |
1-Mar-2017 | Bistability in organic magnetic materials: a comparative study of the key differences between hysteretic and non-hysteretic spin transitions in dithiazolyl radicals | Vela Llausí, Sergi; Reardon, Michael B.; Jakobsche, Charles E.; Turnbull, Mark M.; Ribas Ariño, Jordi; Novoa Vide, Juan J. |
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 |
20-Nov-2024 | Electronic Structure and machine learning protocols for pre-screening of near-room temperature spin-crossover materials | Vidal Ramon, Daniel |
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. |