Browsing by Author Bofill i Villà, Josep M.
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| Issue Date | Title | Author(s) |
|---|---|---|
| 21-Aug-2019 | Interplay between the gentlest ascent dynamics method and conjugate directions to locate transition states | Bofill i Villà, Josep M.; Ribas Ariño, Jordi; Valero Montero, Rosendo; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang |
| 12-Nov-2013 | Level sets as progressing waves: an example for wake-free waves in every dimension | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 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. |
| 2-Aug-2013 | Locating transition states on potential energy surfaces by the gentlest ascent dynamics | Bofill i Villà, Josep M.; Quapp, Wolfgang; Caballero Puig, Marc |
| Apr-2018 | Mechanochemistry on the müller-brown surface | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 6-Feb-2019 | Newton Trajectories for the tilted Frenkel‐Kontorova model | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 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. |
| 14-Sep-2020 | Quantum equilibration of the double-proton transfer in a model system Porphine | Albareda, Guillermo; Riera, Arnau; González Pérez, Miguel; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Valero Montero, Rosendo; Tavernelli, Ivano |
| 25-Sep-2020 | Quantum Zermelo problem for general energy resource bounds | Bofill i Villà, Josep M.; Sanz, Ángel S.; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang |
| 6-Jan-2014 | Remarks on the exact energy functional for fermions: an analysis using the Löwdin partitioning technique | Caballero Puig, Marc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M. |
| 1-Sep-2019 | Sliding paths for series of Frenkel-Kontorova models - A contribution to the concept of 1D-superlubricity | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 2-Dec-2019 | Some mathematical reasoning on the artificial force induced reaction method | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 30-Sep-2014 | Some remarks on the model of the extended gentlest ascent dynamics | Bofill i Villà, Josep M.; Quapp, Wolfgang; Bernuz, Efrem |
| 2008 | Space and momentum representation analysis of Hartman's effect in wave packet transmission | González, M. F.; Bofill i Villà, Josep M.; Giménez i Font, Xavier; Borondo, F. |
| 23-Jan-2018 | The reactivity of cyclopropyl cyanide in titan's atmosphere: a possible pre-biotic mechanism | López Marne, Estefanía; Ascenzi, D.; Tosi, P.; Bofill i Villà, Josep M.; Andrés Llopis, Jaime de; Albertí, M.; Lucas Alcorta, José María; Aguilar Navarro, Antonio |
| 3-Apr-2017 | The role of Li+ ions in the gas phase dehydrohalogenation and dehydration reactions of i-C3H7Br and i-C3H7OH molecules studied by radiofrequency-guided ion beams techniques and ab initio methods | López Marne, Estefanía; Lucas Alcorta, José María; Andrés Llopis, Jaime de; Albertí i Wirsing, Margarida; Bofill i Villà, Josep M.; Aguilar Navarro, Antonio |
| 2016 | The variational nature of the gentlest ascent dynamics and the relation of a variational minimum of a curve and the minimum energy path | Bofill i Villà, Josep M.; Quapp, Wolfgang |
| 3-Oct-2018 | Toward a theory of mechanochemistry: simple models from the very beginnings | Quapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi |
| 5-Dec-2018 | Towards a theory of mechanochemistry. From the very beginnings | Quapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi |
| 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 |