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Results 11-20 of 30 (Search time: 0.041 seconds).
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Issue DateTitleAuthor(s)
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
5-Apr-2016A contribution to a theory of mechanochemical pathways by means of Newton trajectoriesQuapp, Wolfgang; Bofill i Villà, Josep M.
26-Jan-2016Dehydrohalogenation and dehydration reactions of i‑C3H7Br and i‑C3H7OH by sodium ions studied by guided ion beam techniques and quantum chemical methodsLópez Marne, Estefanía; Lucas Alcorta, José María; Andrés Llopis, Jaime de; Albertí i Wirsing, Margarida; Bofill i Villà, Josep M.; Aguilar Navarro, Antonio
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.
6-Jan-2014Remarks on the exact energy functional for fermions: an analysis using the Löwdin partitioning techniqueCaballero Puig, Marc; Moreira, Ibério de Pinho Ribeiro; 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
6-Feb-2019Newton Trajectories for the tilted Frenkel‐Kontorova modelQuapp, Wolfgang; Bofill i Villà, Josep M.
7-May-2018Towards an efficient transition state and reaction path searching algorithm based on gentlest ascent dynamics and the shrinking dimer methodsAlbareda, Guillermo; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang; Rubio Martínez, Jaime

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