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Issue Date | Title | Author(s) |
---|---|---|
2022 | Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method | Bofill i Villà, Josep M.; Quapp, Wolfgang; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Ribas Ariño, Jordi |
19-Jan-2021 | Barnes Update Applied in the Gauss−Newton Method: An Improved Algorithm to Locate Bond Breaking Points | Bofill i Villà, Josep M.; Valero Montero, Rosendo; Ribas Ariño, Jordi; 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 |
17-Jan-2023 | A Catastrophe Theory Based Model for Optimal Control of Chemical Reactions by means of Oriented Electric Fields | Bofill i Villà, Josep M.; Quapp, Wolfgang; Moreira, Ibério de Pinho Ribeiro; Ribas Ariño, Jordi; Severi, Marco; Albareda, Guillermo |
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 |
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 |
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