Browsing by Author Bofill i Villà, Josep M.
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| Issue Date | Title | Author(s) |
|---|---|---|
| 2002 | Derivation of spin Hamiltonians from the exact Hamiltonian: Application to systems with two unpaired electrons per magnetic site | Moreira, Ibério de Pinho Ribeiro; Suaud, N.; Guihery, N.; Malrieu, J. P.; Caballol Lorenzo, Rosa; Bofill i Villà, Josep M.; Illas i Riera, Francesc |
| 13-Feb-1987 | Desenvolupament i aplicació a l'estudi de reaccions pericícliques d'un mètode biconfiguracional de camp autocoherent | Bofill i Villà, Josep M. |
| Jun-2020 | The electric field and the chemical reactions: A new catalyst or an inhibidor? | Barber Andreo, Albert |
| 15-Dec-2015 | Embedding of the saddle point of index two on the PES of the ring opening of cyclobutene | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 24-Oct-2014 | Experimental and ab initio studies of the reactive processes in gas phase i-C3H7Br and i-C3H7OH collisions with potassium ions | López Marne, Estefanía; Lucas Alcorta, José María; Andrés Llopis, Jaime de; Albertí i Wirsing, Margarida; Bofill i Villà, Josep M.; Bassi, Davide; Aguilar Navarro, Antonio |
| 7-Sep-2017 | Experimental and computational evidence of the biradical structure and reactivity of titanium(IV) enolates | Heras, Carlos, 1986-; Gómez-Palomino, A.; Romea, Pedro; Urpí Tubella, Fèlix; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro |
| 2004 | Extent and limitations of density functional theory in describing magnetic systems | Illas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.; Filatov, M. |
| 26-Mar-2015 | Formylation of electron-rich aromatic rings mediated by dichloromethyl methyl ether and TiCl4: scope and limitations | Ramos Tomillero, Iván; Paradís Bas, Marta; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.; Nicolás Galindo, Ernesto; Albericio Palomera, Fernando |
| Jun-2022 | Generation of H2 from 2-fluoroaziridine plus ammonia catalysed by an oriented external field | Melo Flores, Bryan Alexis |
| 26-Oct-2022 | Highly Adiabatic Time-Optimal Quantum Driving at Low Energy Cost | Garcia, Lluc; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Albareda, Guillermo |
| 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. |