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Issue DateTitleAuthor(s)
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
22-Jul-2021Low temperature structures and magnetic interactions in the organic-based ferromagnetic and metamagnetic polymorphs of decamethylferrocenium 7,7,8,8-tetracyano- p-quinodimethanide, [FeCp*2]¿+[TCNQ]¿−Lapidus, Saul H.; Stephens, Peter W.; Fumanal Quintana, María; Ribas Ariño, Jordi; Novoa Vide, Juan J.; DaSilva, Jack G.; Rheingold, Arnold L.; Miller, Joel S.
21-Dec-2021Accurate calculation of spin-state energy gaps in Fe(iii) spin-crossover systems using density functional methodsVidal, Daniel; Cirera Fernández, Jordi; Ribas Ariño, Jordi
11-Jan-2021Twistable Dipolar Aryl Rings as Electric Field Actuated Conformational Molecular SwitchesJutglar Lozano, Kílian; Santiago Piera, Raul; Ribas Ariño, Jordi; Bromley, Stefan Thomas
10-Jun-2021Insights into the magnetism and phase transitions of organic radical-based materialsDeumal i Solé, Mercè; Vela Llausí, Sergi; Fumanal Quintana, María; Ribas Ariño, Jordi; Novoa Vide, Juan J.
19-Jan-2021Barnes Update Applied in the Gauss−Newton Method: An Improved Algorithm to Locate Bond Breaking PointsBofill i Villà, Josep M.; Valero Montero, Rosendo; Ribas Ariño, Jordi; Quapp, Wolfgang
6-Sep-2021Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles studyHmok, HLinh; Betancourt, I.; Martínez-Aguilar, E.; Ribas Ariño, Jordi; Raymond Herrera, Oscar

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