Nombre de documents

19

mes publis


Article dans une revue17 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. Physical Review Letters, American Physical Society, 2017, 119, pp.203203. 〈https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.119.203203〉. 〈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〉
  • Marie Guitou, Frédéric Le Quéré, Katia Fajerwerg. Enseigner une chimie économe et créatrice : retour sur les JIREC 2013. L'Actualité Chimique, 2014, pp.9-14. 〈hal-01076193〉
  • 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〉
  • Falk Richter, Fabien Gatti, Céline Léonard, Frédéric Le Quéré, 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 (16), 〈10.1063/1.2784553〉. 〈hal-01622994〉
  • 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〉
  • 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〉
  • 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〉
  • 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〉
  • 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〉
  • 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〉

Poster2 documents

  • Frédéric Le Quéré, Céline Léonard. DETERMINATION OF RESONANCE CHARACTERISTICS BY PRONY ANALYSIS OF AN AUTOCORRELATION FUNCTION.. Workshop High Dimensional Quantum Dynamics 2014, Sep 2014, Colmar, France. 〈hal-01646666〉
  • Frédéric Le Quéré, Céline Léonard. Determination of resonance characteristics by Prony analysis of an autocorrelation function.. CODECS 2013 Workshop. San Lorenzo de el Escorial, Madrid, 18th –22nd April, 2013, Apr 2013, Madrid, Spain. 〈hal-01646660〉