Browsing by Author Quapp, Wolfgang

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Issue DateTitleAuthor(s)
5-Apr-2016A contribution to a theory of mechanochemical pathways by means of Newton trajectoriesQuapp, Wolfgang; Bofill i Villà, Josep M.
8-May-2019A model for a driven Frenkel-Kontorova chainQuapp, Wolfgang; Bofill i Villà, Josep M.
1-Aug-2017An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysisBofill i Villà, Josep M.; Ribas Ariño, Jordi; García, Sergio Pablo; Quapp, Wolfgang
13-Apr-2017Analysis of the acting forces in a theory of catalysis and mechanochemistryQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
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
10-Mar-2016Comment on "reaction coordinates and pathways of mechanochemical transformations"Quapp, Wolfgang; Bofill i Villà, Josep M.
14-Nov-2019Comment on 'Exploring potential energy surface with external forces'Quapp, Wolfgang; Bofill i Villà, Josep M.
15-Dec-2015Embedding of the saddle point of index two on the PES of the ring opening of cyclobuteneQuapp, Wolfgang; Bofill i Villà, Josep M.
21-Aug-2019Interplay between the gentlest ascent dynamics method and conjugate directions to locate transition statesBofill i Villà, Josep M.; Ribas Ariño, Jordi; Valero Montero, Rosendo; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang
12-Nov-2013Level sets as progressing waves: an example for wake-free waves in every dimensionQuapp, Wolfgang; Bofill i Villà, Josep M.
13-Jun-2014Locating saddle points of any index on potential energy surfaces by the generalized gentlest ascent dynamicsQuapp, Wolfgang; Bofill i Villà, Josep M.
2-Aug-2013Locating transition states on potential energy surfaces by the gentlest ascent dynamicsBofill i Villà, Josep M.; Quapp, Wolfgang; Caballero Puig, Marc
Apr-2018Mechanochemistry on the müller-brown surfaceQuapp, Wolfgang; Bofill i Villà, Josep M.
6-Feb-2019Newton Trajectories for the tilted Frenkel‐Kontorova modelQuapp, Wolfgang; Bofill i Villà, Josep M.
1-Sep-2019Sliding paths for series of Frenkel-Kontorova models - A contribution to the concept of 1D-superlubricityQuapp, Wolfgang; Bofill i Villà, Josep M.
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
2016The variational nature of the gentlest ascent dynamics and the relation of a variational minimum of a curve and the minimum energy pathBofill i Villà, Josep M.; Quapp, Wolfgang
3-Oct-2018Toward a theory of mechanochemistry: simple models from the very beginningsQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
5-Dec-2018Towards a theory of mechanochemistry. From the very beginningsQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi