Browsing by Author Ribas Ariño, Jordi

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Issue DateTitleAuthor(s)
15-Apr-2016On the zeroth-order Hamiltonian for CASPT2 calculations of spin crossover compoundsVela Llausí, Sergi; Fumanal Quintana, María; 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
5-Jul-2021Pitfalls on evaluating pair exchange interactions for modelling molecule-based magnetismFumanal Quintana, María; Jornet Somoza, Joaquim; Vela Llausí, Sergi; Novoa Vide, Juan J.; Ribas Ariño, Jordi; Deumal i Solé, Mercè
30-Oct-2015Radical-Pair Formation in Organic π-Stacked ArchitecturesFumanal Quintana, María
29-Oct-2020Refined metadynamics through canonical sampling using time-invariant bias potential: A study of polyalcohol dehydration in hot acidic solutionsKondo, Tomomi; Sasaki, Takehiko; Ruiz-Barragan, Sergi; Ribas Ariño, Jordi; Shiga, Motoyuki
26-Feb-2019Reorganization of intermolecular interactions in the polymorphic phase transition of a prototypical dithiazolyl-based bistable materialFrancese, Tommaso; Mota Valeri, Fernando; Deumal i Solé, Mercè; Novoa Vide, Juan J.; Havenith, Remco W. A.; Broer, Ria; Ribas Ariño, Jordi
25-Feb-2019Selective nanomechanics of aromatic versus aliphatic thiolates on gold surfacesZoloff Michoff, Martin E.; Ribas Ariño, Jordi; Marx, Dominik
12-Jan-2017Serving science through publishingAromí Bedmar, Guillem; Gámez Enamorado, Patrick; Barrios Moreno, Leoní Alejandra; Ribas Ariño, Jordi; Le Guennic, Boris
23-Nov-2020Structural, ferroelectric, and optical properties of Bi3+ doped YFeO3: A first‐principles studyMartínez-Aguilar, E.; Hmok, HLinh; Ribas Ariño, Jordi; Siqueiros, J. M.; Lozada-Morales, Rosendo
6-Oct-2014The Effect of tensile stress on the conformational free energy landscape of disulfide bondsAnjukandi, Padmesh; Dopieralski, Przemyslaw; Ribas Ariño, Jordi; Marx, Dominik
7-Nov-2016The reaction mechanism of polyalcohol dehydration in hot pressurized waterRuiz-Barragan, Sergi; Ribas Ariño, Jordi; Shiga, Motoyuki
14-Sep-2022The template effect of a SiF62- guest drives the formation of a heteroleptic Fe(II) coordination helicateCapó, Nuria; Barrios Moreno, Leoní Alejandra; Cardona, Joan; Ribas Ariño, Jordi; Teat, Simon J.; Roubeau, Olivier; Aromí Bedmar, Guillem
17-Feb-2020Thermal spin crossover in Fe(ii) and Fe(iii). Accurate spin state energetics at the solid stateVela Llausí, Sergi; Fumanal Quintana, María; Cirera Fernández, Jordi; Ribas Ariño, Jordi
3-Oct-2018Toward a theory of mechanochemistry: simple models from the very beginningsQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
5-Dec-2018Towards a theory of mechanochemistry. From the very beginningsQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
2015Towards the tailored design of benzotriazinyl-based organic radicals displaying a spin transitionFumanal Quintana, María; Vela Llausí, Sergi; Novoa Vide, Juan J.; Ribas Ariño, Jordi
20-Aug-2012Tracing the sources of the different magnetic behavior in the two phases of the bistable (BDTA)2[Co(mnt)2] compoundVela Llausí, Sergi; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Novoa Vide, Juan J.
11-Jan-2021Twistable Dipolar Aryl Rings as Electric Field Actuated Conformational Molecular SwitchesJutglar Lozano, Kílian; Santiago Piera, Raul; Ribas Ariño, Jordi; Bromley, Stefan Thomas
28-Apr-2020Two different mechanisms of stabilization of regular pi-stacks of radicals in switchable dithiazolyl-based materialsFrancese, 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
21-Feb-2019Understanding competition of polyalcohol dehydration reactions in hot waterChang, Yong Lik; Sasaki, Takehiko; Ribas Ariño, Jordi; Machida, Masahiko; Shiga, Motoyuki