1. Dipòsit Digital de la Universitat de Barcelona

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Issue DateTitleAuthor(s)
22-Jul-2016Estudio cinético de la interacción de complejos de metales de transición con moléculas biológicamente relevantes Vázquez Valero, Marta
25-Feb-2015On the mechanism of phenolic formylation mediated by TiCl4 complexes: existence of diradical intermediates induced by valence tautomerismHeras, Carlos, 1986-; Ramos Tomillero, Iván; Caballero Puig, Marc; Paradís Bas, Marta; Nicolás Galindo, Ernesto; Albericio Palomera, Fernando; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.
29-Jun-2018Organocatálisis asimétrica. Desarrollo de catalizadores y estudio de los mecanismos implicadosCarneros García, Héctor
17-Jan-2014Controlling the Ambiphilic nature of sigma-arylpalladium intermediates in intramolecular cyclization reactionsSolé Arjó, Daniel; Fernández Cadenas, Israel
5-Apr-2016A contribution to a theory of mechanochemical pathways by means of Newton trajectoriesQuapp, Wolfgang; Bofill i Villà, Josep M.
2000Ab initio and quasiclassical trajectory study of the N(2D) + NO(X2Π) → O(1D) + N2(X1Σg+) reaction on the lowest 1 A' potential energy surfaceGonzález Pérez, Miguel; Valero Montero, Rosendo; Sayós Ortega, Ramón
16-Feb-2011Synthesis of benzo-, pyrido-, thieno- and imidazo-fused N-hydroxy-4-oxopyrimidine-2-carboxylic acid derivativesBosch Hereu, Lluís; Mouscadet, Jean-Francois; Ni, Xio-Ju; Vilarrasa i Llorens, Jaume
25-Jun-2020Benchmarking of DFT methods using experimental free energies and volumes of activation for the cycloaddition of alkynes to cuboidal Mo3S4 clustersPedrajas, Elena; Pino Chamorro, José A.; Ferrer García, Montserrat; Fernández Trujillo, M. Jesús; Llusar, Rosa; Martínez López, Manuel, 1957-; Basallote, Manuel G.; Algarra, Andrés G.
16-Dec-2019Interplay between Ionization and Tautomerism in Bioactive β-Enamino Ester-Containing Cyclic Compounds: Study of Annulated 1,2,3,6-Tetrahydroazocine DerivativesViayna Gaza, Antonio; Antermite, Salvatore G.; de Candia, Modesto; Altomare, Cosimo D.; Luque Garriga, F. Xavier
7-May-2018Towards an efficient transition state and reaction path searching algorithm based on gentlest ascent dynamics and the shrinking dimer methodsAlbareda, Guillermo; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang; Rubio Martínez, Jaime

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