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Química Inorgànica i Orgànica
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Results 1-10 of 19 (Search time: 0.033 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.
Apr-2018
Mechanochemistry on the müller-brown surface
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.
30-Sep-2014
Some remarks on the model of the extended gentlest ascent dynamics
Bofill i Villà, Josep M.; Quapp, Wolfgang; Bernuz, Efrem
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
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.
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
16
Quapp, Wolfgang
3
Albareda, Guillermo
3
Ribas Ariño, Jordi
2
Moreira, Ibério de Pinho Ribeiro
1
Aguilar Navarro, Antonio
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Subject
19
Química física
7
Chemical reactions
7
Reaccions químiques
4
Quantum chemistry
4
Química quàntica
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Date issued
5
2019
3
2018
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2017
2
2016
3
2015
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