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Publications HAL de le quere de la collection MSME

2017

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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⟩
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2015

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V. Brites, Frédéric Le Quéré, Céline Léonard. Ab initio investigations on the CaO2+ dication. Computational and Theoretical Chemistry, Elsevier, 2015, 1052, pp.1-5. ⟨10.1016/j.comptc.2014.11.009⟩. ⟨hal-01087358⟩
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2014

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Marie Guitou, Frédéric Le Quéré, Katia Fajerwerg. Enseigner une chimie économe et créatrice : retour sur les JIREC 2013. L'Actualité Chimique, Société chimique de France, 2014, pp.9-14. ⟨hal-01076193⟩
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2013

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G. Desrayaud, Eric Chénier, A. Joulin, Alain Bastide, Boris Brangeon, et al.. Benchmark solutions for natural convection flows in vertical channels submitted to different open boundary conditions. International Journal of Thermal Sciences, Elsevier, 2013, 72, pp.18-33. ⟨10.1016/j.ijthermalsci.2013.05.003⟩. ⟨hal-00841302⟩
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https://hal-upec-upem.archives-ouvertes.fr/hal-00841302/file/IJTS2013.pdf BibTex
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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⟩
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2012

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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⟩
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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⟩
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2011

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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⟩
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2010

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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. ⟨10.1063/1.3496374⟩. ⟨hal-00711155⟩
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2007

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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⟩
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2006

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S. Xin, Xavier Nicolas, P. Le Quere. Stability analyses of longitudinal rolls of poiseuille-Rayleigh- bénard flows in air-filled channels of finite transversal extension. Numerical Heat Transfer, Part A Applications, Taylor & Francis, 2006, 50 (5), pp.467-490. ⟨10.1080/10407780600620079⟩. ⟨hal-00694581⟩
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2005

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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⟩
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2004

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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⟩
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2000

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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⟩
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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⟩
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Dernière mise à jour : 08/09/2015
       

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