| Issue Date | Title | Author(s) |
| 5-Apr-2016 | A contribution to a theory of mechanochemical pathways by means of Newton trajectories | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 2000 | Ab initio and quasiclassical trajectory study of the N(2D) + NO(X2Π) → O(1D) + N2(X1Σg+) reaction on the lowest 1 A' potential energy surface | González Pérez, Miguel; Valero Montero, Rosendo; Sayós Ortega, Ramón |
| 25-Jun-2020 | Benchmarking of DFT methods using experimental free energies and volumes of activation for the cycloaddition of alkynes to cuboidal Mo3S4 clusters | Pedrajas, Elena; Pino Chamorro, José A.; Ferrer García, Montserrat; Fernández Trujillo, M. Jesús; Llusar, Rosa; Martínez López, Manuel, 1957-; Basallote, Manuel G.; Algarra, Andrés G. |
| 17-Jan-2014 | Controlling the Ambiphilic nature of sigma-arylpalladium intermediates in intramolecular cyclization reactions | Solé Arjó, Daniel; Fernández Cadenas, Israel |
| 22-Jul-2016 | Estudio cinético de la interacción de complejos de metales de transición con moléculas biológicamente relevantes | Vázquez Valero, Marta |
| 1-Apr-2021 | Evaluation of the main active species involved in the TiO2 photocatalytic degradation of ametryn herbicide and its by-products | Pereira Cavalcante, Rodrigo; Martins de Oliveira, Dirce; de Melo da Silva, Lucas; Giménez Farreras, Jaume; Esplugas Vidal, Santiago; Oliveira, Silvio César de; Falcao Dantas, R.; Sans Mazón, Carme; Machulek Jr., Amílcar |
| 4-Dec-2015 | Force-induced reversal of beta-eliminations: stressed disulfide bonds in alkaline solution | Dopieralski, Przemyslaw; Ribas Ariño, Jordi; Anjukandi, Padmesh; Krupicka, Martin; Marx, Dominik |
| Jun-2022 | Generation of H2 from 2-fluoroaziridine plus ammonia catalysed by an oriented external field | Melo Flores, Bryan Alexis |
| 16-Dec-2019 | Interplay between Ionization and Tautomerism in Bioactive β-Enamino Ester-Containing Cyclic Compounds: Study of Annulated 1,2,3,6-Tetrahydroazocine Derivatives | Viayna Gaza, Antonio; Antermite, Salvatore G.; de Candia, Modesto; Altomare, Cosimo D.; Luque Garriga, F. Xavier |
| 13-Jun-2014 | Locating saddle points of any index on potential energy surfaces by the generalized gentlest ascent dynamics | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 5-Dec-2024 | Mechanochemistry of degree two. | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 2009 | Miquel Ferrer Prieto y los mecanismos de reacción inorgánicos | Álvarez, Santiago (Álvarez Reverter) |
| 25-Feb-2015 | On the mechanism of phenolic formylation mediated by TiCl4 complexes: existence of diradical intermediates induced by valence tautomerism | Heras, 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-2018 | Organocatálisis asimétrica. Desarrollo de catalizadores y estudio de los mecanismos implicados | Carneros García, Héctor |
| 16-Feb-2011 | Synthesis of benzo-, pyrido-, thieno- and imidazo-fused N-hydroxy-4-oxopyrimidine-2-carboxylic acid derivatives | Bosch Hereu, Lluís; Mouscadet, Jean-Francois; Ni, Xio-Ju; Vilarrasa i Llorens, Jaume |
| 7-May-2018 | Towards an efficient transition state and reaction path searching algorithm based on gentlest ascent dynamics and the shrinking dimer methods | Albareda, Guillermo; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang; Rubio Martínez, Jaime |
