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Results 1-10 of 30 (Search time: 0.029 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
10-Mar-2016
Comment on "reaction coordinates and pathways of mechanochemical transformations"
Quapp, Wolfgang; Bofill i Villà, Josep M.
1-Sep-2019
Sliding paths for series of Frenkel-Kontorova models - A contribution to the concept of 1D-superlubricity
Quapp, Wolfgang; Bofill i Villà, Josep M.
Apr-2018
Mechanochemistry on the müller-brown surface
Quapp, Wolfgang; Bofill i Villà, Josep M.
25-Feb-2015
On the mechanism of phenolic formylation mediated by TiCl4 complexes: existence of diradical intermediates induced by valence tautomerism
Heras, Carlos, 1986-; Ramos Tomillero, Iván; Caballero Puig, Marc; Paradís Bas, Marta; Nicolás Galindo, Ernesto; Albericio Palomera, Fernando; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.
3-Apr-2017
The 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 methods
López Marne, Estefanía; Lucas Alcorta, José María; Andrés Llopis, Jaime de; Albertí i Wirsing, Margarida; Bofill i Villà, Josep M.; Aguilar Navarro, Antonio
1-Aug-2017
An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysis
Bofill i Villà, Josep M.; Ribas Ariño, Jordi; García, Sergio Pablo; Quapp, Wolfgang
14-Nov-2019
Comment on 'Exploring potential energy surface with external forces'
Quapp, Wolfgang; Bofill i Villà, Josep M.
2-Dec-2019
Some mathematical reasoning on the artificial force induced reaction method
Quapp, Wolfgang; Bofill i Villà, Josep M.
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Author
20
Quapp, Wolfgang
6
Moreira, Ibério de Pinho Ribeiro
4
Aguilar Navarro, Antonio
4
Andrés Llopis, Jaime de
4
Lucas Alcorta, José María
.
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Subject
19
Physical and theoretical chemistry
19
Química física
8
Chemical reactions
8
Reaccions químiques
5
Quantum chemistry
.
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Date issued
7
2019
4
2018
4
2017
4
2016
5
2015
.
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