Simulation

PUBLICATIONS

2007

P07-1 Anharmonicity and tunneling effects in revisited vibrational O(1s) photoelectron spectrum of water gas phase.
S. Carniato J. Chem. Phys 126, 224307/12 (2007).

P07-2 Characterization of hydroxyl groups on water-reacted Si(001)-2x1 using synchrotron radiation O 1s core-level spectroscopies and core-excited state density-functional calculations.
S. Carniato, J.J. Gallet, F. Rochet, G. Dufour, F. Bournel, S. Rangan, A. Verdini and L. Floreano, Phys. Rev. B 76, 085321/13 (2007).

P07-3 DFT calculations of XPS/NEXAFS and IR spectra to elucidate the reaction products of acetonitrile with Si(001)-2 x 1.
S. Carniato, F. Rochet, J.J. Gallet, F. Bournel, G. Dufour, C. Mathieu and S. Rangan, Surf. Sci 601, 5515-5525 (2007).

P07-4 Migration of oxygen vacancy in HfO2 and across the HfO2/SiO2 interface: A first-principles investigation.
N. Capron, P. Broqvist and A. Pasquarello, Appl. Phys. Lett 91, 192905/3 (2007).

2008

P08-5 A first-principles study of dilute solutions of oxygen in titanium.
G. Boureau, N. Capron and R. Tetot, Scripta. Mater. 59, 1255-1258 (2008).

P08-6 Charge transfer at the metal-insulator transition in V(2)O(3) thin films by resonant inelastic x-ray scattering.
C.F. Hague, J.M. Mariot, V. Ilakovac, R. Delaunay, M. Marsi, M. Sacchi, J.P. Rueff and W. Felsch, Phys. Rev. B 77, 045132/9 (2008).

P08-7 Linear dichroism in resonant inelastic x-ray scattering to molecular spin-orbit states.
R. Guillemin, S. Carniato, W.C. Stolte, L. Journel, R. Taïeb, D.W. Lindle and M. Simon, Phys. Rev. Lett. 101, 133003/4 (2008).

P08-8 Vibrations of acrylonitrile in N 1s excited states.
V. Ilakovac, S. Carniato, J.J. Gallet, E. Kukk, D. Horvatic and A. Ilakovac, Phys. Rev. A 77, 012516/9 (2008).

2009

P09-9 Electronic structure of Ni and Mo silicides investigated by x-ray emission spectroscopy and density functional theory.
I. Jarrige, N. Capron and P. Jonnard, Phys. Rev. B 79, 035117/6 (2009).

P09-10 Experimental and theoretical investigation of molecular field effects by polarization-resolved resonant inelastic x-ray scattering.
S. Carniato, R. Guillemin, W.C. Stolte, L. Journel, R. Taïeb, D.W. Lindle and M. Simon, Phys. Rev. A 80, 032513/12 (2009).

P09-11 Molecular Staples on Si(001)-2 x 1: Dual-Head Primary Amines. C. Mathieu, X. Bai, J.J. Gallet, F. Bournel, S. Carniato, F. Rochet, E. Magnano, F. Bondino, R. Funke, U. Kohler and S. Kubsky,
J. Phys. Chem. C 113, 11336-11345 (2009).

P09-12 Nitrogen 1s NEXAFS and XPS spectroscopy of NH3-saturated Si(001)-2x1: Theoretical predictions and experimental observations at 300 K.
C. Mathieu, X.X. Bai, F. Bournel, J.J. Gallet, S. Carniato, F. Rochet, F. Sirotti, M.G. Silly, C. Chauvet, D. Krizmancic and F. Hennies, Phys. Rev. B 79, 205317/13 (2009).

P09-13 Performances of a bent-crystal spectrometer adapted to resonant x-ray emission measurements on gas-phase samples.
L. Journel, L. El Khoury, T. Marin, R. Guillemin, S. Carniato, A. Avila, R. Delaunay, C.F. Hague and M. Simon, Rev. Sci. Instrum 80, 093105/6 (2009).

P10-14 Collective Magnetic Excitations in the Spin Ladder Sr(14)Cu(24)O(41)
measured Using High-Resolution Resonant Inelastic X-Ray Scattering, J. Schlappa , T. Schmitt, F. Vernay, V. N. Strocov, V. Ilakovac, B. Thielemann, H. M. Rønnow, S. Vanishri, A. Piazzalunga, X. Wang, L. Braicovich, G. Ghiringhelli, C. Marin, J. Mesot, B. Delley, and L. Patthey Phys. Rev. Lett. 103, 047401 (2009).

2010

P10-15 Comment on "A Statistical-Mechanical Method To Evaluate Hydrogen Solubility in Metal".
G. Boureau J. Phys. Chem. C 114, 15541-15543 (2010).

P10-16 Electronic State Interferences in Resonant X-Ray Emission after K-Shell Excitation in HCl.
M. Kavčic, M. Žitnik, K. Bučar, A. Miȟelič, S. Carniato, L. Journel, R. Guillemin and M. Simon, Phys. Rev. Lett 105, 113004/4 (2010).

P10-17 Resonant X-ray Raman scattering on molecules: A benchmark study on HCl.
S. Carniato, R. Taïeb, L. Journel, R. Guillemin, W.C. Stolte, D.W. Lindle, F. Gel'mukhanov and M. Simon, J. Electron. Spectrosc 181, 116-120 (2010).

P10-18 The irradiation of ammonia ice studied by near edge x-ray absorption spectroscopy.
P. Parent, F. Bournel, J. Lasne, S. Lacombe, G. Strazzulla, S. Gardonio, S. Lizzit, J.P. Kappler, L. Joly, C. Laffon and S. Carniato, J. Electron. Spectrosc 181, 116-120 (2010).

P10-19 Two-photon-induced x-ray emission in neon atoms.
Y.P. Sun, Z. Rinkevicius, C.K. Wang, S. Carniato, M. Simon, R. Taïeb and F. Gel'mukhanov, Phys. Rev. A 82, 043430/8 (2010).

2011

P11-20 Effect of the Cl2p core orbital excitation on the nuclear dynamics of the three dichloroethylene isomers.
D. Ceolin, O. Travnikova, Z. Bao, A. Kivimaki, S. Carniato and M.N. Piancastelli, J. Electron. Spectrosc 184, 24-28 (2011).

P11-21 Evidence of Single-Photon Two-Site Core Double Ionization of C2H2 Molecules.
P. Lablanquie, T.P. Grozdanov, M. Žitnik, S. Carniato, P. Selles, L. Andric, J. Palaudoux, F. Penent, H. Iwayama, E. Shigemasa, Y. Hikosaka, K. Soejima, M. Nakano, I.H. Suzuki and K. Ito, Phys. Rev. Lett 107, 193004/5 (2011).

P11-22 Ground State of the Quasi-1D Compound BaVS3 Resolved by Resonant Magnetic X-Ray Scattering.
P. Leininger, V. Ilakovac, Y. Joly, E. Schierle, E. Weschke, O. Bunau, H. Berger, J.P. Pouget and P. Foury-Leylekian, Phys. Rev. Lett 106, 167203/4 (2011).

P11-23 Ionization of water molecules by fast charged projectiles.
A. Dubois, S. Carniato, P.D. Fainstein and J.P. Hansen, Phys. Rev. A 84, 012708/6 (2011).

P11-24 Properties of Hollow Molecules Probed by Single-Photon Double Ionization.
P. Lablanquie, F. Penent, J. Palaudoux, L. Andric, P. Selles, S. Carniato, K. Bučar, M. Žitnik, M. Huttula, J.H.D. Eland, E. Shigemasa, K. Soejima, Y. Hikosaka, I.H. Suzuki, M. Nakano and K. Ito, Phys. Rev. Lett 106, 063003/4 (2011).

P11-25 Resonant inelastic x-ray scattering at the limit of subfemtosecond natural lifetime.
T. Marchenko, L. Journel, T. Marin, R. Guillemin, S. Carniato, M. Žitnik, M. Kavčič, K. Bučar, A. Miȟelič, J. Hoszowska, W. Cao and M. Simon, J. Chem. Phys 134, 144308/6 (2011).

P11-26 Thermodynamic factors limiting the preservation of aromaticity of adsorbed organic compounds on Si(100): Example of the pyridine.
R. Coustel, S. Carniato and G. Boureau, J. Chem. Phys 134, 234708/9 (2011).

P11-27 Unveiling Residual Molecular Binding in Triply Charged Hydrogen Bromide.
F. Penent, P. Lablanquie, J. Palaudoux, L. Andric, G. Gamblin, Y. Hikosaka, K. Ito and S. Carniato, Phys. Rev. Lett 106, 103002/4 (2011).

P11-28 X-ray emission spectroscopy in HCl molecule: angular and dynamics properties.
L. Journel, S. Carniato, R. Guillemin, R. Taïeb and M. Simon, Actu. Chim. , 123-125 (2011).

P11-29 Non perturbative treatment of multi-electron processes in ion-molecule
scattering : application to $He^{2+}-H_2$ collisions. N. Sisourat, I. Pilskog and A. Dubois, Phys. Rev. A 84 , 052722 (2011).

P11-30 Intermediate state representation approach to physical properties of dicationic
states, Y. Velkov , T. Miteva, N. Sisourat and J. Schirmer, Chem. Phys 135, 154113 (2011).

2012

P12-31 BaVS3 probed by V L edge x-ray absorption spectroscopy.
V. Ilakovac, N.B. Brookes, J.C. Cezar, P. Thakur, V. Bisogni, C. Dallera, G. Ghiringhelli, L. Braicovich, S. Bernu, H. Berger, L. Forro, A. Akrap and C.F. Hague, J. Phys. condens. Mat 24, 045503/6 (2012).

P12-32 Hole depletion of ladders in Sr14Cu24O41 induced by correlation effects.
V. Ilakovac, C. Gougoussis, M. Calandra, N.B. Brookes, V. Bisogni, S.G. Chiuzbaian, J. Akimitsu, O. Milat, S. Tomic and C.F. Hague, Phys. Rev. B 85, 075108/6 (2012).

P12-33 Probing IR-Raman vibrationally excited molecules with X-ray spectroscopy.
S. Engin, N. Sisourat, P. Selles, R. Taïeb and S. Carniato, Chem. Phys. Lett 535, 192-195 (2012).

P12-34 Pyridine on Si(001)-(2 x 1): Density functional theory simulations compared with spectroscopic measurements.
R. Coustel, S. Carniato, F. Rochet and N. Witkowski, Phys. Rev. B 85, 035323/9 (2012).

P12-35 Resonant inelastic x-ray scattering of methyl chloride at the chlorine K edge.
L. El Khoury, L. Journel, R. Guillemin, S. Carniato, W.C. Stolte, T. Marin, D.W. Lindle and M. Simon, J. Chem. Phys 136, 024319/7 (2012).

P12-36 Ground state of the quasi-1D correlated electronic system BaVS3,
P. Foury-Leylekian, P. Leininger P. , V. Ilakovac , Y. Joly, S. Bernu, S. Fagot, J.P. Pouget. Phys. B Condensed Matt., 407, 1692 (2012)

P12-37 Vibrationally resolved N 1s absorption spectra of the acrylonitrile molecule,
V. Ilakovac, Y. Houari, S. Carniato, J.-J. Gallet, E. Kukk, D. Horvatic Phys. Rev. A, Accepted (June 2012)

P12-38 Site-selective resonant Auger spectroscopy of iso-dichloroethylene at the carbon K-edge.
D. Céolin, O. Travnikova, Z. Bao, F. F. Guimarães, M. S. da Costa, Y.Velkov, N. Sisourat, S. Carniato, M. Simon and M.N. Piancastelli J. Electron. Spectr. and Rel. Phenom., Accepted (June 2012)


Dernière modification : January 12 2015 17:27:04.