1. Dipòsit Digital de la Universitat de Barcelona

Search


Current filters:
Start a new search
Add filters:

Use filters to refine the search results.

 | 
Results 1-10 of 15 (Search time: 0.031 seconds).
Item hits:
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
7-Jun-2019Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenesCarreras Conill, Abel; Fuligni, Luca; Alemany i Cahner, Pere; Llunell Marí, Miquel; Bofill i Villà, Josep M.; Quapp, Wolfgang
Apr-2018Mechanochemistry on the müller-brown surfaceQuapp, 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
2022Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory MethodBofill i Villà, Josep M.; Quapp, Wolfgang; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Ribas Ariño, Jordi
19-Jan-2021Barnes Update Applied in the Gauss−Newton Method: An Improved Algorithm to Locate Bond Breaking PointsBofill i Villà, Josep M.; Valero Montero, Rosendo; Ribas Ariño, Jordi; Quapp, Wolfgang
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
6-Feb-2019Newton Trajectories for the tilted Frenkel‐Kontorova modelQuapp, Wolfgang; Bofill i Villà, Josep M.

Discover