Browsing by Author Bofill i Villà, Josep M.
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| Issue Date | Title | Author(s) |
|---|---|---|
| 17-Jan-2023 | A Catastrophe Theory Based Model for Optimal Control of Chemical Reactions by means of Oriented Electric Fields | Bofill i Villà, Josep M.; Quapp, Wolfgang; Moreira, Ibério de Pinho Ribeiro; Ribas Ariño, Jordi; Severi, Marco; Albareda, Guillermo |
| 5-Apr-2016 | A contribution to a theory of mechanochemical pathways by means of Newton trajectories | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 25-May-2022 | A generalized Frenkel-Kontorova model for a propagating austenite-martensite phase boundary: revisited numerically | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 8-May-2019 | A model for a driven Frenkel-Kontorova chain | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 19-Sep-2023 | An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system | Bofill i Villà, Josep M.; Severi, Marco; Quapp, Wolfgang; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro; Albareda, Guillermo |
| 1-Aug-2017 | An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysis | Bofill i Villà, Josep M.; Ribas Ariño, Jordi; García, Sergio Pablo; Quapp, Wolfgang |
| 13-Oct-2022 | An Analysis of Some Properties and the Use of the Twist Map for the Finite Frenkel-Kontorova Model | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 13-Apr-2017 | Analysis of the acting forces in a theory of catalysis and mechanochemistry | Quapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi |
| 2-Nov-2021 | Applied Chemistry II Laboratory Handbook | Barrón Bueno, Dolores; Bofill i Villà, Josep M.; Brillas, Enric; Corbella i Cordomí, Montserrat; Costa i Arnau, Anna M.; Costa Sala, Ramon; Juan Capdevila, Anna de; El Fallah El Boufrahi, Mohamed Salah; Escaja Sánchez, Nuria; García Amorós, Jaume; Gargallo Gómez, Raimundo; Gómez, Elvira; Granados i Juan, Mercè; Hernández Cassou, Santiago; Lloyd-Williams, Paul; Marchán Sancho, Vicente; Reigada Sanz, Ramon; Robles i Brau, Jordi; Rodríguez Raurell, Laura; Romea García, Pere; Sahuquillo Estrugo, Àngels; Sarret i Pons, María; Sirés Sadornil, Ignacio; Sousa Romero, Carme; Subirats i Vila, Xavier |
| 19-Jan-2021 | Barnes Update Applied in the Gauss−Newton Method: An Improved Algorithm to Locate Bond Breaking Points | Bofill i Villà, Josep M.; Valero Montero, Rosendo; Ribas Ariño, Jordi; Quapp, Wolfgang |
| Jan-2014 | Building the Potential Energy Profiles for electrocyclic and pericyclic organic reactions: cyclobutene ring opening and hydrogenation of ethene by diimide | Barba Obón, Ricard M. |
| 18-Sep-2019 | Calculus of variations as a basic tool for modeling of reaction paths and localization of stationary points on potential energy surfaces | Bofill i Villà, Josep M.; Quapp, Wolfgang |
| 10-Mar-2016 | Comment on "reaction coordinates and pathways of mechanochemical transformations" | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 14-Nov-2019 | Comment on 'Exploring potential energy surface with external forces' | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 30-Dec-2015 | Comment on: Exploring the potential energy landscape of the Thomson problem via Newton homotopies | Bofill i Villà, Josep M. |
| 2-Apr-2015 | Conditional Born-Oppenheimer dynamics: quantum dynamics simulations for the model porphine | Albareda, Guillermo; Bofill i Villà, Josep M.; Tavernelli, Ivano; Huarte Larrañaga, Fermín; Illas i Riera, Francesc; Rubio, Angel |
| 7-Jun-2019 | Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenes | Carreras Conill, Abel; Fuligni, Luca; Alemany i Cahner, Pere; Llunell Marí, Miquel; Bofill i Villà, Josep M.; Quapp, Wolfgang |
| 2022 | Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method | Bofill i Villà, Josep M.; Quapp, Wolfgang; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Ribas Ariño, Jordi |
| 13-Nov-2013 | De la superfície d'energia potencial a la reactivitat química | Caballero Puig, Marc |
| 26-Jan-2016 | Dehydrohalogenation and dehydration reactions of i‑C3H7Br and i‑C3H7OH by sodium ions studied by guided ion beam techniques and quantum chemical methods | López Marne, Estefanía; Lucas Alcorta, José María; Andrés Llopis, Jaime de; Albertí i Wirsing, Margarida; Bofill i Villà, Josep M.; Aguilar Navarro, Antonio |