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Issue Date
Title
Author(s)
18-Sep-2019
Calculus of variations as a basic tool for modeling of reaction paths and localization of stationary points on potential energy surfaces
Bofill i Villà, Josep M.; Quapp, Wolfgang
5-Apr-2016
A contribution to a theory of mechanochemical pathways by means of Newton trajectories
Quapp, Wolfgang; Bofill i Villà, Josep M.
26-Jan-2016
Dehydrohalogenation and dehydration reactions of i‑C3H7Br and i‑C3H7OH by sodium ions studied by guided ion beam techniques and quantum chemical methods
López Marne, Estefanía; Lucas Alcorta, José María; Andrés Llopis, Jaime de; Albertí i Wirsing, Margarida; Bofill i Villà, Josep M.; Aguilar Navarro, Antonio
25-Sep-2020
Quantum Zermelo problem for general energy resource bounds
Bofill i Villà, Josep M.; Sanz, Ángel S.; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang
15-Dec-2015
Embedding of the saddle point of index two on the PES of the ring opening of cyclobutene
Quapp, Wolfgang; Bofill i Villà, Josep M.
6-Jan-2014
Remarks on the exact energy functional for fermions: an analysis using the Löwdin partitioning technique
Caballero Puig, Marc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.
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
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
6-Feb-2019
Newton Trajectories for the tilted Frenkel‐Kontorova model
Quapp, Wolfgang; Bofill i Villà, Josep M.
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Author
26
Quapp, Wolfgang
13
Moreira, Ibério de Pinho Ribeiro
9
Albareda, Guillermo
7
Ribas Ariño, Jordi
4
Aguilar Navarro, Antonio
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20
Physical and theoretical chemistry
20
Química física
8
Chemical reactions
8
Reaccions químiques
6
Quantum chemistry
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Date issued
8
2020 - 2023
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2010 - 2019
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2004 - 2009