• Physicochimie théorique
  • BRILLOUIN / 2ème / 12-006
  • 0472432931
Novel Approach for Predicting Vertical Electron Attachment Energies in Bulk-Solvated Molecules
Matheus Kiataki, Márcio Varella, Kaline Coutinho, Franck Rabilloud
Journal of Chemical Theory and Computation, vol. 20, p4893–4900 (2024)
Effects of an external electric field on the electronic properties and optical excitations of germanane and silicane monolayers
F Zaabar, F Mahrouche, S Mahtout, Franck Rabilloud, K Rezouali
Journal of Physics: Condensed Matter, vol. 35, p175502 (2023)
How Accurately Can DFT Describe Non-valence Anions?
Guillaume Thiam, Franck Rabilloud
Journal of Chemical Theory and Computation, vol. 19, p2842-2849 (2023)
Phosphorus, cobalt‐phosphorus, and nickel‐phosphorus clusters: Growth behavior, electronic, and magnetic properties
M. Roumili, S. Mahtout, K. Baddari, M. Lasmi, Franck Rabilloud
International Journal of Quantum Chemistry, vol. 123, pe27189 (2023)
Experimental and Theoretical Investigations of the Fragmentation of Ethylenediamine Induced by Low-Energy (<10 eV) Electrons
Hassan Abdoul-Carime, Elena Lys, Jeanne Gipouloux, Franck Rabilloud
Molecules, vol. 29, p191 (2023)
Chemistry in Acetonitrile–Water Films Induced by Slow (<15 eV) Electrons: Application to the Earth and Space Chemistry
Hassan Abdoul-Carime, Guillaume Thiam, Franck Rabilloud, Florence Charlieux, Janina Kopyra
ACS Earth and Space Chemistry, vol. 6, p1126-1132 (2022)
Coordination of Ethylamine on Small Silver Clusters: Structural and Topological (ELF, QTAIM) Analyses
Corinne Lacaze-Dufaure, Yann Bulteau, Nathalie Tarrat, David Loffreda, Pierre Fau, Katia Fajerwerg, Myrtil L Kahn, Franck Rabilloud, Christine Lepetit
Inorganic Chemistry, vol. 61, p7274–7285 (2022)
Energy-Selective Decomposition of Organometallic Compounds by Slow Electrons: The Case of Chloro(dimethyl sulfide)gold(I)
Janina Kopyra, Franck Rabilloud, Paulina Wierzbicka, Hassan Abdoul-Carime
Journal of Physical Chemistry A, vol. 125, p966-972 (2021)
Experimental and Theoretical Studies of Dissociative Electron Attachment to Metabolites Oxaloacetic and Citric Acids
Janina Kopyra, Paulina Wierzbicka, Adrian Tulwin, Guillaume Thiam, Ilko Bald, Franck Rabilloud, Hassan Abdoul-Carime
International Journal of Molecular Sciences, vol. 22, p7676 (2021)
Fragmentation of Nickel(II) and Cobalt(II) Bis(acetylacetonate) Complexes Induced by Slow (<10 eV) Electrons
Franck Rabilloud, Janina Kopyra, Hassan Abdoul-Carime
Inorganic Chemistry, vol. 60, p8154-8163 (2021)
Multi-Basis-Set (TD-)DFT Methods for Predicting Electron Attachment Energies
Guillaume Thiam, Franck Rabilloud
Journal of Physical Chemistry Letters, vol. 12, p9995-10001 (2021)
Growth behavior and electronic and optical properties of IrGen (n = 1–20) clusters
Mustafa Lasmi, Sofiane Mahtout, Franck Rabilloud
Journal of Nanoparticle Research, vol. 23, p26 (2021)
Oxidation-Induced Surface Plasmon Band Fragmentation in Silver Clusters
Romain Schira, Franck Rabilloud
Journal of Physical Chemistry C, vol. 124, p968-975 (2020)
Interaction of Slow Electrons with Thermally Evaporated Manganese(II) Acetylacetonate Complexes
Janina Kopyra, Franck Rabilloud, Hassan Abdoul-Carime
J.Phys.Chem.A, vol. 124, p2186-2192 (2020)
Core-excited resonances initiated by unusually low energy electrons observed in dissociative electron attachment to Ni(II) (bis)acetylacetonate
J. Kopyra, Franck Rabilloud, H. Abdoul-Carime
The Journal of Chemical Physics, vol. 153, p124302 (2020)
Decomposition of Carbon Tetrachloride on Gold Surfaces
Guillaume Thiam, Florence Charlieux, Pierre Mignon, Franck Rabilloud, Hassan Abdoul-Carime
Journal of Physical Chemistry C, vol. 124, p20874-20880 (2020)
The effect of palladium and platinum doping on the structure, stability and optical properties of germanium clusters: DFT study of PdGen and PtGen (n = 1–20) clusters
Mustapha Lasmi, Sofiane Mahtout, Franck Rabilloud
Computational and Theoretical Chemistry, vol. 1181, p112830 (2020)
Cobalt(II), Nickel(II) and Zinc(II) complexes based on DHA: Synthesis, X-ray crystal structure, antibacterial activity and DFT computational studies
Amel Marir, Toma Nardjes Mouas, Barkahem Anak, Erwann Jeanneau, Amel Djedouani, Louisa Aribi-Zouioueche, Franck Rabilloud
Journal of Molecular Structure, vol. 1217, p128353 (2020)
Decomposition of Bis(acetylacetonate)zinc(II) by Slow Electrons
Janina Kopyra, Franck Rabilloud, Hassan Abdoul-Carime
Inorganic Chemistry, vol. 59, p12788-12792 (2020)
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