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Results 1-10 of 19 (Search time: 0.038 seconds).
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Issue DateTitleAuthor(s)
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
13-Apr-2017Analysis of the acting forces in a theory of catalysis and mechanochemistryQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
10-Mar-2016Comment on "reaction coordinates and pathways of mechanochemical transformations"Quapp, Wolfgang; Bofill i Villà, Josep M.
Apr-2018Mechanochemistry on the müller-brown surfaceQuapp, 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
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
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
5-Dec-2018Towards a theory of mechanochemistry. From the very beginningsQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi

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