Publications
84. H. Abdoul-Carime , E. Lys, J. Gipouloux, F. Rabilloud,
Experimental and theoretical investigations of fragmentation of ethylenediamine induced by low energy (<10 eV) electrons,
83. E. Belles, F. Rabilloud, A. I. Kuleff, V. Despré
Size effect in correlation-driven charge migration in correlation bands of alkyne chains,
J. Phys. Chem. A 128, 163-169 (2024).
82. M. A. Roumili, S. Mahtout, K. Baddari, M. Lasmi, F. Rabilloud,
Phosphorus, cobalt-phosphorus and nickel-phosphorus clusters: growth behavior, electronic and magnetic properties,
Int. J. Quant. Chem. 123, e27189 (2023).
81. G. Thiam, F. Rabilloud,
How accurately can DFT describe non-valence anions ?
J. Chem. Theory Comput., 19, 2842-2849 (2023).
80. F. Zaabar, F. Mahrouche, S. Mahtout, F. Rabilloud, K. Rezouali,
Effects of an external electric field on the electronic properties and optical spectra of germanane and silicane monolayers,
J. Physics: Cond. Matter, 35, 175502(2023).
79. C. Lacaze-Dufaure, Y. Bulteau, N. Tarrat, D. Loffreda, P. Fau, K. Fajerwerg, M. Kahn, F. Rabilloud, C. Lepetit,
Coordination of ethylamine on small silver clusters: structural and topological (ELF, QTAIM) analyses,
Inorganic Chemistry 61, 7274-7285 (2022).
78. H. Abdoul-Carime, G. Thiam, F. Rabilloud, F. Charlieux, J. Kopyra,
Chemistry in Acetonitrile-Water Films Induced by Slow (< 15 eV) Electrons: Application to the Earth and space chemistry,
ACS Earth and Space Chemistry 6, 11216 (2022).
77. G. Thiam, F. Rabilloud,
Multi-basis set (TD-)DFT methods for predicting electron attachment energies,
J. Phys. Chem. lett. 12, 9995 (2021).
76. J. Kopyra, P. Wierzbicka, A. Tulwin, G. Thiam, I. Bald, F. Rabilloud, H. Abdoul-Carime,
Experimental and theoretical study of dissociative electron attachment to metabolites oxaloacetic and citric acids,
Int. J. Mol. Sci. 22, 7676 (2021).
75. F. Rabilloud, J. Kopyra, H. Abdoul-Carime,
Fragmentation of Nickel(II) and Cobalt(II) bis(acetylacetonate) Complexes Induced by Slow (< 10 eV) Electrons,
Inorganic Chemistry 60, 8154-8163 (2021).
74. J. Kopyra, F. Rabilloud, P. Maciejewska, H. Abdoul-Carime,
Energy Selective Decomposition of Organometallic Compounds by Slow Electrons: the Case of Chloro(dimethyl sulfide)gold(I),
J. Phys. Chem. A 125, 966-972 (2021).
73. M. Lasmi, S. Mahtout, F. Rabilloud,
Growth behavior, electronic and optical properties of IrGen (n=1-20) clusters,
J. Nanopart. Res. 23, 26 (2021).
72. J. Kopyra, F. Rabilloud, H. Abdoul-Carime,
Core-excited resonances initiated by unusually low energies electron observed in dissociative electron attachment to Ni(II)(bis)acetylacetonate,
J. Chem. Phys. 153, 124302 (2020).
71. G. Thiam, F. Charlieux, P. Mignon, F. Rabilloud, H. Abdoul-Carime,
Decomposition of carbon tetrachloride on gold surfaces,
J. Phys. Chem. C 184, 20874-20880 (2020).
70. J. Kopyra, F. Rabilloud, H. Abdoul-Carime,
Decomposition of Bis(acetylacetonate)zinc(II) by slow electrons,
Inorganic Chemistry 59, 12788-12792 (2020).
69. F. Rabilloud, E. Cottancin, M. Pellarin,
Optical properties of metallic nanoalloys: From clusters to nanoparticles,
DOI:10.1016/B978-0-12-819847-6.00011-5
in NANOALLOYS:From fundamentals to Emergent Applications, 2nd edition, Elsevier, 2020.
68. A. Marir, T. N. Mouas, B. Anak, E. Jeanneau, A. Djedouani, L. Aribi-Zouioueche, F. Rabilloud,
Cobalt(II), Nickel(II) and Zinc(II) Complexes Based on DHA: Synthesis, X-ray Crystal Structure, Antibacterial Activity and DFT Computational Studies,
J. Mol. Struct. 1217, 128353 (2020)
67. M. Lasmi, S. Mahtout, F. Rabilloud,
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,
Computational and Theoretical Chemistry 1181, 112830 (2020)
66. J. Kopyra, F. Rabilloud, H. Abdoul-Carime,
Interaction of slow electrons with thermally evaporated manganese (II) acetylacetonate complexes,
J. Phys. Chem. A 124, 2186-2192 (2020)
65. R. Schira, F. Rabilloud,
Oxidation-Induced Surface Plasmon Band Fragmentation in Silver Clusters,
J. Phys. Chem. C 124, 968-975 (2020)
64. C. Siouani, S. Mahtout, F. Rabilloud,
Structure, stability, and electronic properties of niobium-germanium and tantalum-germanium clusters,
63. R. Schira, F. Rabilloud,
Localized Surface Plasmon Resonance in Silver Nanoclusters Agn n=20-147,
J. Phys. Chem. C 123, 6205-6212 (2019)
62. H. Abdoul-Carime, F. Rabilloud,
Selective Desorption of ethylene after dimethyl sulfide reaction on cold gold surface,
J. Phys. Chem. C 123, 1874-1879 (2019)
61. H. Boulemche, B. Anak, A. Djedouania, R. Touzanie, M. François, S. Fleutot, F. Rabilloud,
Synthesis, X-ray crystallography, computational studies and catecholase activity of new zwitterionic Schiff base derivatives,
J. Mol. Struct. 1178, 606-616 (2019)
60. M. Yahyaoui, A. Bouchama, B. Anak, C. Chiter, A. Djedouani, F. Rabilloud,
Synthesis, molecular structure analyses and DFT studies on new asymmetrical azines based Schiff bases,
J. Mol. Struct. 1177, 69-77 (2019)
59. R. Schira, F. Rabilloud,
Effects of the Rare-Gas Matrices on the Optical Response of Silver Nanoclusters,
J. Phys. Chem. C 122, 27656-27661 (2018).
58. C. Yu, R. Schira, H. Brune, B. v. Issendorff, F. Rabilloud, W. Harbich,
Optical properties of size selected neutral Ag clusters: electronic shell structures and the surface plasmon resonance,
Nanoscale, 10, 20821-20827 (2018).
57. J. Kopyra, F. Rabilloud, H. Abdoul-Carime,
Interaction of gas phase copper(II) acetylacetonate with slow electrons,
Phys. Chem. Chem. Phys. 20, 7746-7753 (2018)
56. S. Mahtout, C. Siouani, F. Rabilloud,
Growth behavior and electronic structure of noble metal-doped germanium clusters,
J. Phys. Chem A 122, 662-677 (2018)
55. S. Mahtout, M. Amatousse, F. Rabilloud,
Structural, Electronic and magnetic properties of Pn+1 and FePn (n=1-14) clusters,
Computational and Theoretical Chemistry 1122, 16-26 (2017)
54. S. Rahmouni, A. Djedouani, B. Anak, S. Tabti, A. Bendaas, M. Bencharif, M. François, S. Fleutot, F. Rabilloud,
Synthesis, X-ray crystal structures, electrochemistry and theoretical investigation of a tetradentate nickel and copper Schiff base complexes,
J. Mol. Struct. 1148, 238 (2017)
53. R. Sinha-Roy, P. Garcia-Gonzalez, H.-C. Weissker, F. Rabilloud, A.I. Fernandez-Dominguez,
Classical and ab initio plasmonics meet at sub-nanometric noble metal rods,
ACS Photonics 4, 1484 (2017)
52. C. Siouani, S. Mahtout, S. Safer, F. Rabilloud,
Structures, stability and electronic and magnetic properties of VGen (n=1-19) clusters,
J. Phys. Chem A 121, 3540 (2017)
51. S. Safer, S. Mahtout, K. Rezouali, M.A. Belkhir, F. Rabilloud,
Properties of neutral and charged cobalt-doped arsenic CoAsn (n=1-15) clusters by density functional theory,
Computational and Theoretical Chemistry 1090, 23 (2016)
50. Y. Djebli, M. Bencharif, F. Rabilloud,
Theoretical study of bis(N-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)ethanimidamidato)M complexes (M= Co,Ni,Cu,Zn,Pd,Cd): Structural, Electronic and Optical Properties,
Computational and Theoretical Chemistry 1080, 16 (2016)
49. G.D. Förster, M. Girault, J. Menneveux, L. Lavisse, J.-M. Jouvard, M. del Carmen Marco de Lucas, V. Potin, F.X. Lux, M. Kerkar, J.L. Le Garrec, E. Carvou, S. Carles, F. Rabilloud, F. Calvo, J. Yu, J.B. Mitchell,
Oxidation-induced surface roughening of aluminum nanoparticles formed in an ablation plume,
Physical Review Letters 115, 246101 (2015)
48. S. Debnath, S. M. Said, F. Rabilloud, A. Chatterjee, M. F. Roslan, A. Mainal, M. S. Mahmood,
A DFT study on chemical and optical properties of 7-atoms AgmX7-m [X=Li, Na] nano-alloys for potential applications in opto-electronics and catalysis,
RSC Advances 5, 98583 (2015)
47. G. D. Forster, F. Rabilloud, F. Calvo,
Atomistic modeling of epitaxial graphene on Ru(0001) and deposited ruthenium nanoparticles,
Phys. Rev. B 92, 165425 (2015)
46. S. Debnath, S. M. Said, F. Rabilloud, A. Chaterjee, M. M. Rashid, A. Mainal,
Al-X and Cu-X [X=Li, Na] nano-alloys: A low cost alternative to silver and gold nanoparticles for plasmonic applications,
RSC Advances 5, 58128 (2015)
45. G. D. Forster, F. Rabilloud, F. Calvo,
Adsorption of metal nanoparticles on carbon substrates and epitaxial graphene: assessing models for dispersion forces,
Phys. Rev. B 91, 245433 (2015)
44. B. Bousquet, M. Cherif, K. Huang, F. Rabilloud,
Absorption spectra of aryl thiol coated silver nanoclusters: a time-dependent density functional study,
J. Phys. Chem C 119, 4268 (2015)
43. S. Linas, Y. Magnin, B. Poinsot, O. Boisron, G.D. Forster, Z. Han, D. Kalita, V. Bouchiat, V. Martinez, R. Fulcrand, F. Tournus, V. Dupuis, F. Rabilloud, L. Bardotti, F. Calvo,
Interplay between Raman shift and thermal expansion in graphene: temperature-dependent measurements and analysis of substrate corrections,
Phys. Rev B 91, 075426 (2015)
42. F. Rabilloud,
Description of plasmon-like band in silver clusters: the importance of the long-range Hartree-Fock exchange in time-dependent density-functional theory simulations,
J. Chem. Phys. 141, 144302 (2014)
41. F. Rabilloud,
Absorption spectra of alkali C60 nanoclusters,
Phys. Chem. Chem. Phys. 16, 22399-22408 (2014)
40. Y. Magnin, G. D. Forster, F.Rabilloud, F. Calvo, A. Zappelli, C. Bichara,
Thermal expansion of freestanding graphene: benchmarking semiempirical potentials,
Journal of Physics: Condensed Matter 26, 185401 (2014)
39. G. D. Forster, Y. Magnin, F.Rabilloud, F. Calvo,
Effective embedded-atom potential for metallic adsorbates on crystalline surfaces,
Modelling and Simulation in Materials Science and Engineering 22, 035015 (2014)
38. B. Anak, M. Bencharif, F.Rabilloud,
Time-Dependent Density Functional Study of UV-Visible Absorption Spectra of Small Noble Metal Clusters (Cun, Agn, Aun, n=2-9,20),
RSC Advances 4, 13001-13010 (2014)
37. F.Rabilloud,
Assessment of the performance of long-range-corrected density functionals for calculating the absorption spectra of silver clusters,
The Journal of Physical Chemistry A 117, 4267-4278 (2013)
36. F.Rabilloud,
UV-visible absorption spectra of metallic clusters from TDDFT calculations,
Eur. Phys. J. D 67, 18 (2013)
35.F. Rabilloud,
Structure and stability of coinage metal fluoride and chloride clusters (MnFn and MnCln, M=Cu, Ag, or Au ; n=1-6),
Journal of Computational Chemistry 33, 2083 (2012)
34.F. Rabilloud,
Time-dependent density functional theory for calculating the absorption spectra of metallic nanoclusters: feasibility and reliability,
Recent Research Developments in Chemical Physics, Vol. 6, page 67 (2012): ISBN: 978-81-7895-561-2
33.F. Rabilloud,
Structure and bonding in coinage metal halide clusters MnXn,, M=Cu, Ag, Au, X = Br , I, n=1-6,
The Journal of Physical Chemistry A, 116, 3474 (2012)
32.F. Rabilloud, D. Mathian,
Ab initio study of neutral and charged copper bromide (CuBr)n(+) clusters (n=1-6),
Journal of Cluster Science, 23, 165-176 (2012)
31.F. Rabilloud,
Electronic and geometric properties of exohedral potassium-fullerenes
Computational and Theoretical Chemistry, 964, 213 (2011)
30.M. Harb, F. Rabilloud, D. Simon,
Optical response of silver nanoclusters complexed with aromatic thiol molecules: a time-dependent density-functional study
J. Phys. B: At. Mol. Opt. Phys., 44, 035101 (2011)
29.J. Hernandez-Rojas, F. Calvo, F. Rabilloud, J. Breton, J. M. Gomez Llorente,
Modeling water clusters on cationic carbonaceous seeds
The Journal of Physical Chemistry A, 114, 7267 (2010)
28.F. Rabilloud,
Structure and electronic properties of alkali-C60 nanoclusters
The Journal of Physical Chemistry A, 114, 7241 (2010)
27.F. Rabilloud, M. Harb, H. Ndome, P. Archirel,
UV-visible absorption spectra of small carbonylated platinum complexes and particles: a DFT study
The Journal of Physical Chemistry A, 114, 6451 (2010)
26.M. Harb, F. Rabilloud, D. Simon,
Structural, electronic, magnetic and optical properties of icosahedral silver-nickel nanoclusters
Physical Chemistry Chemical Physics, 12, 4246-4254 (2010)
25.M. Harb, F. Rabilloud, D. Simon,
Structure and optical properties of core-shell bimetallic AgnNin clusters: Comparison with pure silver and nickel clusters
The Journal of Chemical Physics, 131, 174302 (2009)
24.M. Harb, F. Rabilloud, D. Simon,
Optical absorption of silver clusters: A study of the effective potential core size
Chem Phys Lett, 476, 186 (2009)
23.M. Harb, F. Rabilloud, D. Simon, A. Rydlo, S. Lecoultre, F. Conus, V. Rodrigues, C. Félix,
Optical absorption of small silver clusters : Agn, (n=4-22)
The Journal of Chemical Physics, 129, 194108 (2008)
22. F. Rabilloud, O. Bonhomme, J.M. L'Hermite, P. Labastie,
Adiabatic electron affinities of (AgF)n clusters: experiment and DFT calculations,
Chemical Physics Letters, 454, 153-157 (2008)
21. F. Rabilloud, C. Sporea,
Ab initio investigation of structures and properties of mixed silicon-potassium SinKp and SinKp+ (n <= 6, p <= 2) clusters,
Journal of Computational Methods on Science and Engineering, 7, 273-286 (2007)
20. F. Rabilloud, R. Antoine, M. Broyer, I. Compagnon, P. Dugourd, D. Rayane, F. Calvo, F. Spiegelman,
Electric dipoles and susceptibilities of alkali clusters/fullerene complexes: experiments and simulations,
The Journal of Physical Chemistry C, 111, 17795-17803 (2007)
19. M. Harb, F. Rabilloud, D. Simon,
Time-Dependent Density Functional Study of Absorption Spectra of Small Bimetallic Silver-Nickel Clusters,
Chemical Physics Letters, 449, 38-43 (2007)
18. C. Sporea, F. Rabilloud,
Stability of alkali-encapsulating silicon cage clusters,
The Journal of Chemical Physics, 127, 164306 (2007)
17. M. Harb, F. Rabilloud, D. Simon,
Density functional study of structural and electronic properties of small bimetallic silver-nickel clusters,
The Journal of Physical Chemistry A, 111, 7726-7731 (2007)
16. C. Sporea, F. Rabilloud, M. Aubert-Frécon,
Charge transfers in mixed silicon-alkali clusters and dipole moments
J. Mol. Struct.: THEOCHEM 802, 85-90 (2007)
15. C. Sporea, F. Rabilloud, X. Cosson, A.R. Allouche, M. Aubert-Frécon,
Theoretical study of mixed silicon-lithium clusters SinLip(+) (n=1-6, p=1-2)
J. Phys. Chem. A 110, 6032-6038 (2006)
14. A. Jraij, A.R. Allouche, F. Rabilloud, M. Korek, M. Aubert-Frécon, Driss Rayane, I. Compagnon, R. Antoine, M. Broyer, Ph. Dugourd,
Electric dipole, polarizability and structure of cesium chloride clusters with one excess electron,
Chem. Phys. 322, p.298-302 (2006)
13. C. Sporea, F. Rabilloud, A.R. Allouche, M. Aubert-Frécon,
Ab initio study of neutral and charged SinNap(+) (n<=6, p<=2) clusters
J. Phys. Chem. A 110, 1046-1051 (2006)
12. M.Aubert-Frécon, F. Rabilloud, A.R. Allouche, D. Rayane, R. Antoine, M. Broyer, P. Dugourd,
Existence of weakly bound states for metal-benzene molecules confirmed from a long-range model,
Chem. Phys. Lett. 405, 422-424 (2005)
11. F. Rabilloud,
Geometry and spin-multiplicity of half-sandwich type transition-metal-benzene complexes,
J. Chem. Phys. 122, 134303/1-6 (2005)
10. F. Rabilloud, D. Rayane, A.R. Allouche, R. Antoine, M. Aubert-Frécon, M. Broyer, I. Compagnon, P. Dugourd,
Permanent dipole of metal-benzene molecules : evidence for long-range weakly bound states ?,
J. Phys. Chem. A 107, 11347-11353 (2003)
9. A. Le Padellec, F. Rabilloud, D. Pegg, K. Andersson, D. Hanstorp, A. Neau, M. Larsson, F. Hellberg, and R. Thomas,
Electron collisions with C4-: detachement process and resonant structure
in "Dissociative Recombination of Molecular Ions with Electrons" p.441
Kluwer Academic/Plenum Publishers, Harbound, ISBN 0-306-47765-3, Août 2003, Editeur : Steven L. Guberman.
8. F. Rabilloud, A. Le Padellec, P. Labastie, J. M. L'Hermite, F. Spiegelman,
The metastable fragmentation of silver bromine clusters,
in The Physics and Chemistry of Clusters, Nobel Symposium 117, 292 (2001)
7. A. Le Padellec, F. Rabilloud, D. Pegg, A. Neau, F. Hellberg, R. Thomas, H. T. Schmidt, M. Larsson, H. Danared, A. Källberg, K. Anderson, D. Hanstorp,
Electron-impact detachment and dissociation of C4- ions,
J. Chem. Phys. 115, 10671 (2001)
6. J. M. L'Hermite, F. Rabilloud, P. Labastie and F. Spiegelman,
Evidence for trimers evaporation in silver bromide clusters,
EPJD 16, 77-80 (2001)
5. J. M. L'Hermite, F. Rabilloud, L. Marcou, P. Labastie,
Metastable fragmentation of silver bromide clusters,
EPJD 14, 323-330 (2001)
4. M. Chabot, R. Fossé, K. Wohrer, D. Gardés, G. Maynard, F. Rabilloud, F. Spiegelman,
Multi-ionization cross sections of small ionic carbon clusters by particle impact as a tool to investigate their shapes,
EPJD 14, 5-8 (2001)
3. F. Rabilloud, F. Spiegelmann, J. M. L'Hermite, P. Labastie,
Ab initio study of silver bromide AgnBrp(+) clusters (n<=6, p=n, n-1),
J. Chem. Phys. 114, 289-305 (2001)
2. J. M. L'Hermite, L. Marcou, F. Rabilloud and P. Labastie,
A new method to study metastable fragmentation of clusters using a reflectron time-of-flight mass spectrometer,
Rev. Sci. Instruments 71, 2033-2037 (2000)
1. F. Rabilloud, F. Spiegelmann and J. L. Heully,
Ab-initio calculations of structural and electronic properties of small silver bromide clusters,
J. Chem. Phys. 111, 8925-8933 (1999)