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Results 1-10 of 19 (Search time: 0.021 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
7-Jun-2019
Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenes
Carreras Conill, Abel; Fuligni, Luca; Alemany i Cahner, Pere; Llunell Marí, Miquel; Bofill i Villà, Josep M.; Quapp, Wolfgang
Apr-2018
Mechanochemistry on the müller-brown surface
Quapp, Wolfgang; 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
2022
Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method
Bofill i Villà, Josep M.; Quapp, Wolfgang; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Ribas Ariño, Jordi
19-Jan-2021
Barnes Update Applied in the Gauss−Newton Method: An Improved Algorithm to Locate Bond Breaking Points
Bofill i Villà, Josep M.; Valero Montero, Rosendo; Ribas Ariño, Jordi; Quapp, Wolfgang
21-Aug-2019
Interplay between the gentlest ascent dynamics method and conjugate directions to locate transition states
Bofill i Villà, Josep M.; Ribas Ariño, Jordi; Valero Montero, Rosendo; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang
5-Dec-2018
Towards a theory of mechanochemistry. From the very beginnings
Quapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
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Author
15
Quapp, Wolfgang
7
Ribas Ariño, Jordi
5
Albareda, Guillermo
4
Moreira, Ibério de Pinho Ribeiro
2
Aguilar Navarro, Antonio
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Subject
13
Physical and theoretical chemistry
13
Química física
7
Chemical reactions
7
Reaccions químiques
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2023
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2022
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2021
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2019
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2018
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