Nombre de documents

15

mes publis


Article dans une revue15 documents

  • H. Iwayama, C. Léonard, F. Le Quéré, S. Carniato, R. Guillemin, et al.. Different timescales in the dissociation dynamics of core-excited CF4 by two internal clocks: accepté pour publication. Physical Review Letters, American Physical Society, 2017. 〈hal-01539204〉
  • V. Brites, Frédéric Le Quéré, Céline Léonard. Ab initio investigations on the CaO2+ dication. Computational and Theoretical Chemistry, 2015, 1052, pp.1-5. 〈10.1016/j.comptc.2014.11.009〉. 〈hal-01087358〉
  • H. Khalil, Frédéric Le Quéré, Céline Léonard, V. Brites. Theoretical Investigations on CaO Ions: Vibronic States and Photoelectron Spectroscopy. Journal of Physical Chemistry A, American Chemical Society, 2013, 117 (--), pp.11254-11260. 〈10.1021/jp407811c〉. 〈hal-00875353〉
  • Céline Léonard, Frédéric Le Quéré. Theoretical study of the predissociation of the A2Π State of ZnF including quasi-diabatisation of the spin-orbit coupling.. Journal of Chemical Physics, American Institute of Physics, 2012, 137 (16), pp.164318. 〈10.1063/1.4762444〉. 〈hal-00743774〉
  • H. Khalil, Frédéric Le Quéré, V. Brites, Céline Léonard. Theoretical Study of the Rovibronic States of CaO. Journal of Molecular Spectroscopy, Elsevier, 2012, 271 (1), pp.1-9. 〈10.1016/j.jms.2011.10.004〉. 〈hal-00692707〉
  • H. Khalil, V. Brites, Frédéric Le Quéré, Céline Léonard. Ab initio study of the low-lying electronic states of the CaO molecule. Chemical Physics, Elsevier, 2011, 386 (1-3), pp.50-55. 〈10.1016/j.chemphys.2011.05.023〉. 〈hal-00692838〉
  • R. Marquardt, M. Sanrey, F. Gatti, Frédéric Le Quéré. Full dimensional quantum dynamics of vibrationally highly excited NHD2. Journal of Chemical Physics, American Institute of Physics, 2010, 133 (1), pp.174302. 〈hal-00711155〉
  • S. Soorkia, Frédéric Le Quéré, Céline Léonard, D. Figgen. Ab initio study of the spin-orbit coupling between the A and b3Πu electronic states of Na2. Molecular Physics, Taylor & Francis, 2007, 105 (9), pp.1095 - 1104. 〈10.1080/00268970601161574〉. 〈hal-00174382〉
  • Satchin Soorkia, Frederic Le Quere, Céline Léonard, Detlev Figgen. Ab initio study of the spin-orbit coupling between the A1Σ +u and b 3Πu electronic states of Na2. Molecular Physics, Taylor & Francis, 2007, 105 (09), pp.1095-1104. 〈10.1080/00268970601161574〉. 〈hal-00513072〉
  • Falk Richter, Fabien Gatti, Céline Léonard, Frederic Le Quere, Hans-Dieter Meyer. Time-dependent wave packet study on trans-cis isomerization of HONO driven by an external field. Journal of Chemical Physics, American Institute of Physics, 2007, 127, pp.164315. 〈10.1063/1.2784553〉. 〈hal-00184763〉
  • Hans-Dieter Meyer, Frédéric Le Quéré, Céline Léonard, Fabien Gatti. Calculation and selective population of vibrational levels with the Multiconfiguration Time-Dependent Hartree (MCTDH) algorithm. Chemical Physics, Elsevier, 2006, 329, pp.179. 〈10.1016/j.chemphys.2006.06.002〉. 〈hal-00171319〉
  • Céline Léonard, Frédéric Le Quéré, K. A. Peterson. A theoretical spectroscopic study of HeI and HeBr. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2005, 7 (8), pp.1694 - -1699. 〈10.1039/b501253h〉. 〈hal-00720594〉
  • S. Herve, Frédéric Le Quéré, R. Marquardt. Effect of rotations on the generation of coherent internal molecular motion. International Journal of Quantum Chemistry, Wiley, 2004, 99 (4), pp.439--451. 〈10.1002/qua.10859〉. 〈hal-00693879〉
  • Céline Léonard, F. Le Quere, P. Rosmus, C. Puzzarini, M. P. D. Castells. Selective vibrational excitations in the OX (X = F, Cl, Br, I) molecules. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2000, 2 (6), pp.1117--1122. 〈10.1039/a908993d〉. 〈hal-00693804〉
  • M. P. De Lara Castells, Alexander Mitrushchenkov, P. Palmieri, Frédéric Le Quéré, Céline Léonard, et al.. Spin-dependent and coriolis interactions by an improved configuration interaction treatment: predissociation of excited fine structure levels of OH/OD.. Molecular Physics, Taylor & Francis, 2000, 98 (21), pp.1713--1727. 〈hal-00722008〉