Browsing by Author Ribas Ariño, Jordi

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Issue DateTitleAuthor(s)
1-Aug-2017An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysisBofill i Villà, Josep M.; Ribas Ariño, Jordi; García, Sergio Pablo; Quapp, Wolfgang
13-Apr-2017Analysis of the acting forces in a theory of catalysis and mechanochemistryQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
1-Mar-2017Bistability in organic magnetic materials: a comparative study of the key differences between hysteretic and non-hysteretic spin transitions in dithiazolyl radicalsVela Llausí, Sergi; Reardon, Michael B.; Jakobsche, Charles E.; Turnbull, Mark M.; Ribas Ariño, Jordi; Novoa Vide, Juan J.
Jun-2019Designing new tunable materials for organic electronic devicesJutglar Lozano, Kílian
5-Feb-2016Disclosing the Ligand- and Solvent-Induced Changes on the Spin Transition and Optical Properties of Fe(II)-Indazolylpyridine ComplexesVela Llausí, Sergi; Gourlaouen, Cristophe; Fumanal Quintana, María; Ribas Ariño, Jordi
15-Dec-2018Electronic structure and properties of multifunctional systems: bisdithiazolyl-based materialsRoncero, Cristina; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro
2018Estructura electrònica i propietats de sistemes multifuncionals: materials derivats del bisditiazolilRoncero, Cristina; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro
1-May-2017Ferromagnetice exchange in bichloride bridged Cu(II) chains: magnetostructural correlations between ordered and disordered systemsHerringer, Susan N.; Landee, Christopher P.; Turnbull, Mark M.; Ribas Ariño, Jordi; Novoa Vide, Juan J.; Polson, Matthew; Wikaira, Jan L.
2004A first-principles analysis of the magnetism of CuII polynuclear coordination complexes: the case of [Cu4(bpy)4(aspartate)2(H2O)3](ClO4)4·2.5H2ODeumal i Solé, Mercè; Ribas Ariño, Jordi; Robb, Michael A.; Ribas Gispert, Joan; Novoa Vide, Juan J.
4-Dec-2015Force-induced reversal of beta-eliminations: stressed disulfide bonds in alkaline solutionDopieralski, Przemyslaw; Ribas Ariño, Jordi; Anjukandi, Padmesh; Krupicka, Martin; Marx, Dominik
1-Nov-2016Formation of long, multicenter pi-[TCNE](2)(2-) dimers in solution: solvation and stability assessed through molecular dynamics simulationsCapdevila-Cortada, Marcal; Ribas Ariño, Jordi; Chaumont, Alain; Wipff, Georges; Novoa Vide, Juan J.
21-Aug-2019Interplay between the gentlest ascent dynamics method and conjugate directions to locate transition statesBofill i Villà, Josep M.; Ribas Ariño, Jordi; Valero Montero, Rosendo; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang
17-Apr-2017Lattice-solvent effects in the spin-crossover of an Fe(II)-based material. The key role of intermolecular interactions between solvent moleculesFumanal, Maria; Jimenez-Gravalos, Fernando; Ribas Ariño, Jordi; Vela Llausí, Sergi
12-Jul-2018Magnetic fingerprint of dithiazolyl-based molecule magnetsFrancese, Tommasso; Ribas Ariño, Jordi; Novoa Vide, Juan J.; Havenith, Remco W.A; Broer, Ria; de Graaf, Coen; Deumal i Solé, Mercè
29-Sep-2006Mecanismos de interacción magnética en cristales molecularesRibas Ariño, Jordi
4-Oct-2017Molecules Designed to Contain Two Weakly Coupled Spins with a Photoswitchable SpacerSalinas Uber, Jorge; Estrader i Bofarull, Marta; García Gómez, Jordi; Lloyd-Williams, Paul; Sadurní, Anna; Dengler, Dominik; van Slageren, Joris; Chilton, Nicholas F.; Roubeau, Olivier; Teat, Simon J.; Ribas Ariño, Jordi; Aromí Bedmar, Guillem
17-Feb-2015Nanomechanics of bidentate thiolate ligands of gold surfacesZoloff Michoff, Martin E.; Ribas Ariño, Jordi; Marx, Dominik
15-Apr-2016On the zeroth-order Hamiltonian for CASPT2 calculations of spin crossover compoundsVela Llausí, Sergi; Fumanal, M.; Ribas Ariño, Jordi; Robert, V.
7-Jun-2017Origin of bistability in the butyl-substituted spirobiphenalenyl-based neutral radical materialFumanal Quintana, María; Novoa Vide, Juan J.; Ribas Ariño, Jordi
30-Oct-2015Radical-Pair Formation in Organic π-Stacked ArchitecturesFumanal Quintana, María