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Journal articles
Solvation of Palladium Clusters in an Ionic Liquid: A QM/MM Molecular Dynamics Study
Elena E. Zvereva
1, 2
Sergey A. Katsyuba
1
Paul J. Dyson
3
Alexey V. Aleksandrov
4
2
LSIM [?-2019] - Laboratory of Atomistic Simulation [?-2019]
MEM - Modélisation et Exploration des Matériaux : DRF/IRIG/MEM
Elena E. Zvereva 1, 2
Author
Sergey A. Katsyuba 1
Author
Paul J. Dyson 3
Author
Alexey V. Aleksandrov 4
Author
1
IOPC - A.E. Arbuzov Institute of Organic and Physical Chemistry (Kazan Scientific Centre, Arbuzov Street 8, 420088 Kazan - Russia)
- Kazan Scientific Centre of the Russian Academy of Sciences (Lobachevskogo, 2/31, 420111, Kazan - Russia)
2
LSIM [?-2019] - Laboratory of Atomistic Simulation [?-2019] (CEA
17, rue des Martyrs
F-38054 Grenoble Cedex 9 - France)
- MEM - Modélisation et Exploration des Matériaux : DRF/IRIG/MEM (CEA
17 rue des Martyrs
F-38054 Grenoble Cedex 9 - France)
- IRIG - Institut de Recherche Interdisciplinaire de Grenoble : DRF/IRIG/DEPHY (France)
- DRF (CEA) - Direction de Recherche Fondamentale (CEA) : DRF/IRIG (Direction de Recherche Fondamentale
Fundamental Research Division
CEA Saclay
91191 Gif-sur-Yvette
- France)
- CEA - Commissariat à l'énergie atomique et aux énergies alternatives (Centre de Saclay Centre de Grenoble Centre de Cadarache etc - France)
- DRF (CEA) - Direction de Recherche Fondamentale (CEA) : DRF/IRIG (Direction de Recherche Fondamentale
Fundamental Research Division
CEA Saclay
91191 Gif-sur-Yvette
- France)
- UGA [2016-2019] - Université Grenoble Alpes [2016-2019] (CS 40700 - 38058 Grenoble cedex - France)
- IRIG - Institut de Recherche Interdisciplinaire de Grenoble : DRF/IRIG/DEPHY (France)
3
Institut des Sciences et Ingénierie Chimiques (CH-1015 Lausanne - Switzerland)
- EPFL - Ecole Polytechnique Fédérale de Lausanne (CH-1015 Lausanne, Switzerland - Switzerland)
4
BIOC - Laboratoire de Biochimie de l'Ecole polytechnique (Ecole Polytechnique 91128 Palaiseau - France)
- X - École polytechnique (École polytechnique, 91128 Palaiseau Cedex - France)
- CNRS - Centre National de la Recherche Scientifique : UMR7654 (France)
Document type :
Journal articles
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https://hal-polytechnique.archives-ouvertes.fr/hal-01303129
Contributor : Denis Roura <>
Submitted on : Friday, April 15, 2016 - 9:59:57 PM
Last modification on : Wednesday, July 29, 2020 - 4:10:05 PM
Contributor : Denis Roura <>
Submitted on : Friday, April 15, 2016 - 9:59:57 PM
Last modification on : Wednesday, July 29, 2020 - 4:10:05 PM
Identifiers
- HAL Id : hal-01303129, version 1
- DOI : 10.1021/acs.jpcc.5b11229
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Citation
Elena E. Zvereva, Sergey A. Katsyuba, Paul J. Dyson, Alexey V. Aleksandrov. Solvation of Palladium Clusters in an Ionic Liquid: A QM/MM Molecular Dynamics Study. Journal of Physical Chemistry C, American Chemical Society, 2016, 120 (8), pp.4596-4604. ⟨10.1021/acs.jpcc.5b11229⟩. ⟨hal-01303129⟩
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