Browsing by Author Bofill i Villà, Josep M.

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Issue DateTitleAuthor(s)
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.
1-Sep-2019Sliding paths for series of Frenkel-Kontorova models - A contribution to the concept of 1D-superlubricityQuapp, Wolfgang; Bofill i Villà, Josep M.
2-Dec-2019Some mathematical reasoning on the artificial force induced reaction methodQuapp, Wolfgang; Bofill i Villà, Josep M.
30-Sep-2014Some remarks on the model of the extended gentlest ascent dynamicsBofill i Villà, Josep M.; Quapp, Wolfgang; Bernuz, Efrem
2008Space and momentum representation analysis of Hartman's effect in wave packet transmissionGonzález, M. F.; Bofill i Villà, Josep M.; Giménez i Font, Xavier; Borondo, F.
23-Jan-2018The reactivity of cyclopropyl cyanide in titan's atmosphere: a possible pre-biotic mechanismLópez Marne, Estefanía; Ascenzi, D.; Tosi, P.; Bofill i Villà, Josep M.; Andrés Llopis, Jaime de; Albertí, M.; Lucas Alcorta, José María; Aguilar Navarro, Antonio
3-Apr-2017The role of Li+ ions in the gas phase dehydrohalogenation and dehydration reactions of i-C3H7Br and i-C3H7OH molecules studied by radiofrequency-guided ion beams techniques and ab initio methodsLópez Marne, Estefanía; Lucas Alcorta, José María; Andrés Llopis, Jaime de; Albertí i Wirsing, Margarida; Bofill i Villà, Josep M.; Aguilar Navarro, Antonio
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
3-Oct-2018Toward a theory of mechanochemistry: simple models from the very beginningsQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
5-Dec-2018Towards a theory of mechanochemistry. From the very beginningsQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
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