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Issue Date | Title | Author(s) |
---|---|---|
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 |
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 |
21-Aug-2019 | Interplay between the gentlest ascent dynamics method and conjugate directions to locate transition states | Bofill i Villà, Josep M.; Ribas Ariño, Jordi; Valero Montero, Rosendo; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang |
5-Dec-2018 | Towards a theory of mechanochemistry. From the very beginnings | Quapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi |