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Issue Date | Title | Author(s) |
---|---|---|
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 |
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 |
5-Apr-2016 | A contribution to a theory of mechanochemical pathways by means of Newton trajectories | Quapp, Wolfgang; 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 |
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