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Issue DateTitleAuthor(s)
2-Dec-2019Some mathematical reasoning on the artificial force induced reaction methodQuapp, Wolfgang; Bofill i Villà, Josep M.
30-Sep-2014Some remarks on the model of the extended gentlest ascent dynamicsBofill i Villà, Josep M.; Quapp, Wolfgang; Bernuz, Efrem
18-Sep-2019Calculus of variations as a basic tool for modeling of reaction paths and localization of stationary points on potential energy surfacesBofill i Villà, Josep M.; Quapp, Wolfgang
5-Apr-2016A contribution to a theory of mechanochemical pathways by means of Newton trajectoriesQuapp, Wolfgang; Bofill i Villà, Josep M.
2-Apr-2015Conditional Born-Oppenheimer dynamics: quantum dynamics simulations for the model porphineAlbareda, Guillermo; Bofill i Villà, Josep M.; Tavernelli, Ivano; Huarte Larrañaga, Fermín; Illas i Riera, Francesc; Rubio, Angel