1. Dipòsit Digital de la Universitat de Barcelona

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Results 1-10 of 30 (Search time: 0.028 seconds).
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Issue DateTitleAuthor(s)
10-Mar-2016Comment on "reaction coordinates and pathways of mechanochemical transformations"Quapp, Wolfgang; Bofill i Villà, Josep M.
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
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.
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
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 i Wirsing, Margarida; Lucas Alcorta, José María; Aguilar Navarro, Antonio
5-Apr-2016A contribution to a theory of mechanochemical pathways by means of Newton trajectoriesQuapp, Wolfgang; Bofill i Villà, Josep M.
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
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
13-Apr-2017Analysis of the acting forces in a theory of catalysis and mechanochemistryQuapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
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

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