Publications 2011

  • Allard, F., Homeier, D. and Freytag, B., 2011. Stellar to Substellar Model Atmospheres. Proceedings of the International Astronomical Union, 7(S282), pp.235-242. DOI:10.1017/S1743921311027438, [ImpactFactor : 0.03 | H index 8 | SJR 2011 : 0.106]
  • X.J. Shen, W. Dong, Y. Xiao and X. H. Yan, “Comment on ‘Reactive force fields for surface chemical reaction: A case study of hydrogen dissociation on Pd surfaces’ ”, J. Chem. Phys. 2011, 135, 167101.
  • Nicolas Chéron, Laurent El Kaïm, Laurence Grimaud, Paul Fleurat-Lessard, “A Density Functional Theory Study of the Nef-Isocyanide Reaction: Mechanism, Influence of Parameters and Scope”, Journal of Physical Chemistry A, Vol. 115 (2011), pp 10106-10112.
  • Nicolas Chéron, Laurent El Kaïm, Laurence Grimaud, Paul Fleurat-Lessard, “Evidences for the Key Role of Hydrogen Bonds in Nucleophilic Aromatic Substitution Reactions”, Chemistry - A European Journal, Vol.17 (2011), pp 14929-14934.
  • M. Voßkuhle, A. Pumir, and E. Lévêque, “Estimating the Collision Rate of Inertial Particles in a Turbulent Flow: Limitations of the ‘Ghost Collision’ Approximation”, Journal of Physics: Conference Series, vol.318, no.5, p.052 024, 2011. doi:10.1088/1742-6596/318/5/052024.
  • Rajpurohit, A.~S., Reylé, C., Schultheis, M., Leinert, C., Allard, F. - 2011. The physical parameters of the low-mass multiple system LHS1070 from Spectral synthesis analysis. SF2A-2011: Proceedings of the Annual meeting of the French Society of Astronomy and Astrophysics 339-343.
  • Sordo, R., and 22 colleagues - 2011. Stellar libraries for Gaia. Journal of Physics Conference Series 328, 012006.
  • Freytag, B., Allard, F., Homeier, D., Ludwig, H., Steffen, M. - 2011. Radiation-Hydrodynamics Simulations of Dust Clouds in the Atmospheres of Substellar Objects. Astronomical Society of the Pacific Conference Series 450, 125.
  • Reylé, C., Rajpurohit, A.~S., Schultheis, M., Allard, F. - 2011. The Effective Temperature Scale of M Dwarfs from Spectral Synthesis. 16th Cambridge Workshop on Cool Stars, Stellar Systems, and the Sun 448, 929. 2011arXiv1102.1263R
  • Freytag, B., Allard, F., Ludwig, H.-G., Homeier, D., Steffen, M. - 2011. Radiation-Hydrodynamics Simulations of Cool Stellar and Substellar Atmospheres. 16th Cambridge Workshop on Cool Stars, Stellar Systems, and the Sun 448, 855.
  • Lucas, P.~W., and 16 colleagues - 2011. A Very Cool, Very Nearby Brown Dwarf Hiding in the Galactic Plane. 16th Cambridge Workshop on Cool Stars, Stellar Systems, and the Sun 448, 339.
  • Allard, F., Homeier, D., Freytag, B. - 2011. Model Atmospheres From Very Low Mass Stars to Brown Dwarfs. 16th Cambridge Workshop on Cool Stars, Stellar Systems, and the Sun 448, 91.
  • Burningham, B., and 14 colleagues - 2011. The properties of the T8.5p dwarf Ross 458C. Monthly Notices of the Royal Astronomical Society 414, 3590-3598. 2011arXiv1103.1617B
  • Delorme, P., Albert, L., Artigau, E., Forveille, T., Delfosse, X., Reylé, C., Willott, C.~J., Bertin, E., Allard, F. - 2011. Extending the Canada-France Brown Dwarf Survey to the near infrared. European Physical Journal Web of Conferences 16, 6005.
  • Burningham, B., and 17 colleagues - 2011. The discovery of the T8.5 dwarf UGPS J0521+3640. Monthly Notices of the Royal Astronomical Society 414, L90-L94.
  • Céline Dupont, Françoise Delbecq, David Loffreda and Yvette Jugnet, “Preferential CO oxidation in a large excess of hydrogen on Pt3Sn surfaces”, Journal of Catalysis, vol. 278 (2011) p. 239-245.
  • Jan Haubrich, David Loffreda, Françoise Delbecq, Philippe Sautet, Yvette Jugnet, Alexander Krupski, Conrad Becker and Klaus Wandelt, “Mechanistic and spectroscopic identification of initial reaction intermediates for prenal decomposition on a platinum model catalyst”, Physical Chemistry Chemical Physics, vol. 13 (2011) p. 6000-6009.
  • Rodrigo Ferreira de Morais, Philippe Sautet, David Loffreda and Alejandro Franco, “A multiscale theoretical methodology for the calculation of electrochemical observables from ab initio data: Application to the oxygen reduction reaction in a Pt(1 1 1)-based polymer electrolyte membrane fuel cell”, Electrochimica Acta, vol. 56 (2011) p. 10842-10856.
  • Slimane Laref, Yan Li, Marie-Laure Bocquet, Françoise Delbecq, Philippe Sautet and David Loffreda, “Nature of adhesion of condensed organic films on platinum by first-principles simulations”, Physical Chemistry Chemical Physics, vol. 13 (2011) p. 11827-11837.
  • Chevillard Laurent; Lévêque Emmanuel; Taddia Francesco; et al., Local and nonlocal pressure Hessian effects in real and synthetic fluid turbulence, PHYSICS OF FLUIDS Volume: 23 Issue: 9 Article Number: 095108 DOI: 10.1063/1.3638618 Published: SEP 2011
  • E. Dumont, One-electron addition on short-loop selenylsulfide and diselenide-linked biomolecules: from diethyldichalcogens to Grx3-like selenopeptides., Int. J. Quant. Chem., 2011, in press, doi
  • E. Dumont, C. Michel and P. Sautet, Unravelling gold(I) specific action towards peptidic disulfide cleavage : a DFT investigation., Chem. Phys. Chem. , 2011, 12, 2596-2603 doi
  • E. Dumont and N. Ferre, Geometrical embedding governs a dramatic variation of EPR hyperfine coupling constants of disulfide radical anions., J. Phys. Chem. B, 2011, 115, 6776-6783 doi
  • Z Atieh , A R Allouche , D Graveron-Demilly and M Aubert-Frécon, Density functional theory (DFT) calculations of the proton nuclear magnetic resonance (NMR) spin-Hamiltonian parameters for serine, Meas. Sci. Technol. 22 (2011) 114015 (5pp) doi:10.1088/0957-0233/22/11/114015
  • A. R. Allouche and M. Aubert-Frécon, Ab initio and long-range investigation of the Omega^(+/) states of NaK dissociating adiabatically up to Na(3s 2S_1/2) + K(3d 2D_3/2), J. Chem. Phys. 135, 024309 (2011); doi: 10.1063/1.3607964
  • R. Caracas and E. Bobocioiu, The WURM project - a freely available web-based repository of computed physical data for minerals, American Mineralogist, Volume 96, pages 437–443, 2011.
  • Freytag, B., Steffen, M., Ludwig, H.-G., Wedemeyer-Bohm, S., Schaffenberger, W., Steiner, O., Simulations of stellar convection with CO5BOLD, Special issue of JCP on computational plasma physics, ed. Barry Koren, invited paper, submitted 2011.
  • M. Viallet, I. Baraffe, R. Walder, Towards a new generation of multi-dimensional stellar evolution models : development of an implicit hydrodynamic code, Astronomy & Astrophysics, Volume 531, id.A86, 2011
  • E. Dumont, A. D. Laurent, X. Assfeld et D. Jacquemin, Performances of recently-proposed functionals for describing disulfide radical anions and similar systems , Chem. Phys. Lett., 2011, 501, 245-251
  • J.-N. Dumez and L. Emsley, Master-equation approach to the description of proton-driven spin diffusion from crystal geometry using simulated zero-quantum lineshapes, Phys. Chem. Chem. Phys. in press.
  • N. Chéron, L. El Kaïm, L. Grimaud, P. Fleurat-Lessard, Evidences for the Key-Role of Intramolecular Hydrogen Bonds in SnAr, Chem. Eur. J. 2011.
  • F. Rabilloud, Electronic and geometric properties of exohedral potassium-fullerenes, Computational and Theoretical Chemistry, 964, 213 (2011).
science/publications/2011.txt · Dernière modification: 2017/04/14 08:24 par cpetit