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Results 1-10 of 13 (Search time: 0.014 seconds).
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Issue Date
Title
Author(s)
2016
The variational nature of the gentlest ascent dynamics and the relation of a variational minimum of a curve and the minimum energy path
Bofill i Villà, Josep M.; 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
Apr-2018
Mechanochemistry on the müller-brown surface
Quapp, Wolfgang; Bofill i Villà, Josep M.
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
6-Feb-2019
Newton Trajectories for the tilted Frenkel‐Kontorova model
Quapp, Wolfgang; Bofill i Villà, Josep M.
7-May-2018
Towards an efficient transition state and reaction path searching algorithm based on gentlest ascent dynamics and the shrinking dimer methods
Albareda, Guillermo; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang; Rubio Martínez, Jaime
25-May-2022
A generalized Frenkel-Kontorova model for a propagating austenite-martensite phase boundary: revisited numerically
Quapp, Wolfgang; Bofill i Villà, Josep M.
13-Jun-2014
Locating saddle points of any index on potential energy surfaces by the generalized gentlest ascent dynamics
Quapp, Wolfgang; Bofill i Villà, Josep M.
2-Apr-2015
Conditional Born-Oppenheimer dynamics: quantum dynamics simulations for the model porphine
Albareda, Guillermo; Bofill i Villà, Josep M.; Tavernelli, Ivano; Huarte Larrañaga, Fermín; Illas i Riera, Francesc; Rubio, Angel
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Author
10
Quapp, Wolfgang
3
Albareda, Guillermo
3
Ribas Ariño, Jordi
2
Moreira, Ibério de Pinho Ribeiro
1
Aguilar Navarro, Antonio
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4
Teories no lineals
3
Dinàmica molecular
3
Mechanics
3
Mecànica
3
Molecular dynamics
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