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Issue DateTitleAuthor(s)
13-Apr-2017Analysis of the acting forces in a theory of catalysis and mechanochemistryQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
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
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
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
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
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.