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Page Personnelle de Claude LEFORESTIER

Professeur Classe Exceptionnelle - Université Montpellier 2
Dynamique Réactionnelle

Institut Charles GERHARDT - CNRS 5253
Université Montpellier 2 - Bât.15 - CC 1501
Place Eugène Bataillon
34 095 Montpellier Cedex 5

Contact : Claude.Leforestier@univ-montp2.fr

Publications
Conférences Invitées
Communications orales

Parcours


Thèmes de Recherche


Articles dans des revues à comité de lecture

  • Claude Leforestier
    Water dimer equilibrium constant calculation, A quantum formulation including metastable states,
    Journal of Chemical Physics, 140, 2014, 074106
  • Volodymyr Babin, Claude Leforestier and Francesco Paesani
    Development of a "First Principles" Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient,
    Journal of Chemical Theory and Computation, 9, 2013, 5395-5403
  • Claude Leforestier, Krzysztof Szalewicz and Ad Van Der Avoird
    Spectra of water dimer from a new ab initio potential with flexible monomers,
    Journal of Chemical Physics, 137, 2012, 014305
  • Claude Leforestier
    Infra-red shifts of the water dimer from the fully flexible ab initio HBB2 potential,
    Proceedings of the Royal Society of London Series A Mathematical and Physical Sciences, , 2012, 2675
  • Claude Leforestier, Adam Tekin, Georg Jansen and Michel Herman
    First principles potential for the acetylene dimer and refinement by fitting to experiments,
    Journal of Chemical Physics, 135, 2011, 234306
  • K. Didriche, C. Lauzin, T. Földes, D. Golebiowski, M. Herman and Claude Leforestier
    High resolution overtone spectroscopy of the acetylene van der Waals dimer,(12C2H2)2,
    Physical Chemistry Chemical Physics, 13, 2011, 14010-14018
  • Ad van der Avoird, Rafał Podeszwa, Krzysztof Szalewicz, Claude Leforestier, Rob van Harrevelt, P. R. Bunker, Melanie Schnell, Gert von Helden and Gerard Meijer
    Vibration-rotation-tunneling states of the benzene dimer, an ab initio study,
    Physical Chemistry Chemical Physics, 12(29) , 2010, 8219-8240
  • Claude Leforestier, Q. Ma and R. H. Tipping
    Temperature dependences of mechanisms responsible for the water-vapor continuum absorption. II. Dimers and collision-induced absorption,
    Journal of Chemical Physics, 132, 2010, 164302
  • Krzysztof Szalewicz, Claude Leforestier and Ad Van Der Avoird
    Towards the complete understanding of water by a first-principles computational approach,
    Chemical Physics Letters, 482(1-3) , 2009, 1-14
  • Claude Leforestier, Rob Van-Harrevelt and Ad Van-Der-Avoird
    Vibration-Rotation-Tunneling Levels of the Water Dimer from an ab Initio Potential Surface with Flexible Monomers,
    The Journal of Physical Chemistry A, 113(44) , 2009, 12285-12294
  • Nir Goldman, Claude Leforestier and Richard Saykally
    A 'first principles' potential energy surface for liquid water from VRT spectroscopy of water clusters,
    Philosophical Transactions. Series A, Mathematical, Physical and Engineering Sciences, 363, 2005, 493-508
  • Fabienne Ribeiro, Christophe Iung and Claude Leforestier
    A Jacobi-Wilson description coupled to a block-Davidson algorithm, An efficient scheme to calculate highly excited vibrational levels,
    Journal of Chemical Physics, 123, 2005, 054106
  • A. F. Krupnov, M. Yu. Tretyakov and Claude Leforestier
    Possibilities of the observation of the discrete spectrum of the water dimer at equilibrium in millimiter-wave band,
    Journal of Quantitative Spectroscopy and Radiative Transfer, 110, 2009, 427-434
  • Claude Leforestier, R. H. Tipping and Q. Ma
    Temperature dependences of mechanisms responsible for the water-vapor continuum absorption. I. Far wings of allowed lines,
    Journal of Chemical Physics, , 2008, 124313
  • Wojciech Cencek, Krzysztof Szalewicz, Claude Leforestier, Rob Van Harrevelt and Ad van der Avoird
    An accurate analytic representation of the water pair potential,
    Physical Chemistry Chemical Physics, , 2008, 4716-4731
  • Yohann Scribano, Nir Goldman, R.J. Saykally and Claude Leforestier
    Water dimers in the atmosphere. III. Equilibrium constant from a Flexible Potential,
    The Journal of Physical Chemistry A, 110, 2006, 5411-5419
  • Yohann Scribano and Claude Leforestier
    Contribution of water dimers absorption to the millimeter and far infrared atmospheric water continuum,
    Journal of Chemical Physics, 126, 2007, 234301
  • H A. Harker, F N. Keutsch, C. Leforestier, Y. Scribano, J -X. Han and R J. Saykally
    Toward a precise determination of the acceptor switching splitting in the water dimer,
    Molecular Physics, 105(5-7) , 2007, 497-512
  • H A. Harker, F N. Keutsch, C. Leforestier, Y. Scribano, J -X. Han and R J. Saykally
    Refinements in the description of excited VRT states of the water dimer,
    Molecular Physics, 105(5-7) , 2007, 513-527

  • Conférences Invitées

  • Claude Leforestier,
    Towards a quantum liquid water potential
    ,
    «Spectroscopy and Dynamics of Molecules and Clusters 2013»,
    Udaipur (Inde), 21-24 février 2013,
  • Claude Leforestier,
    A Vibrational SCF method for Large Amplitude Motions in molecular clusters
    ,
    «""Convergent Distributed Environment for Computational Spectroscopy" workshop»,
    El escorial, Espagne, 18-22 avril 2013,
  • Claude Leforestier,
    Large Amplitude Motions Vibrational SCF method, application to molecular clusters
    ,
    «Third "Intermolecular Forces" workshop»,
    Telluride, USA, 15-20 juillet 2013,
  • Claude Leforestier,
    Calculation of infrared shifts in water clusters
    ,
    «246th ACS National Meeting, "Theory and Experiment on Water and Hydration" Symposium»,
    Indianapolis, USA, 8-12 septembre 2013,
  • Claude Leforestier,
    Two-layer anharmonicity of intramolecular bonds in water clusters
    ,
    «CECAM Workshop "Anharmonicity in medium-sized molecules and clusters"»,
    Marne-la-Vallée, avril 2012,
  • Claude Leforestier,
    Vers un potentiel quantique de l'eau
    ,
    «Réunion de la SFP, Symposium PAMO»,
    Reims, juillet 2012,
  • Claude Leforestier, G.Jensen, A.Temkin, M.Herman
    Effective Potential Energy Surface for the acetylene dimer
    ,
    «International Solvay Workshop "Femto-, Astro, Spectro-Ethyne"»,
    Bruxelles, mai 2012,
  • Claude Leforestier,
    IR shifts of the water dimer
    ,
    «Royal Society Meeting "Water in the gas phase"»,
    Chicheley (GB), juin 2011,
  • Claude Leforestier, K.Szalewicz, A.van der Avoird
    Water Dimer Equilibrium Constantfrom First-Principles Calculations
    ,
    «International Workshop ''Spectroscopic Signatures of Molecular Complexes.Ions in our Atmosphere and Beyond''»,
    Benares, Inde, 01-05 février 2010,
  • Claude Leforestier, K.Szalewicz, A.van der Avoird
    Water Dimer Equilibrium Constant from First-Principles Calculations
    ,
    «International Solvay Workshop ''Molecular Complexes in our Atmosphere and Beyond''»,
    Bruxelles, Belgique, 19-23 avril 2010,
  • Claude Leforestier, R.Saykally, K.Szalewicz, A.van der Avoird
    High resolution spectroscopy as a probe for ab initio calculations
    ,
    «International Conference of Computational Methods in Sciences and Engineering 2010»,
    Kos, Grece, 03-08 octobre 2010,
  • Claude Leforestier, K.szalewicz, A. van der Avoird
    Water dimer concentration in the atmosphere
    ,
    «240ème American Chemical Societey National Meeting : Symposium on "Physical Chemistry of Hydrates, Interfaces and Aerosols and their Relationship to Climate"»,
    Boston, 22-27 août 2010,
  • Claude Leforestier,
    Rovibrational states of the water dimer in full dimensionality
    ,
    «Canadian Society of Chemistry Conference»,
    Hamilton, Ontario, 30 mai - 04 juin 2009,
  • Claude Leforestier,
    The quest for a quantum liquid water potential
    ,
    «Conference on Molecular Structure & Dynamics»,
    Austin, USA, 8-10 janvier 2009,
  • Claude Leforestier, Semparithi Aravindan,
    Test de potentiels quantiques pour l'eau liquide
    ,
    «Journées Dynamique du Sud Ouest»,
    Montpellier, 19-20 mai 2008,
  • Claude Leforestier, Semparithi Aravindan,
    The quest for a quantum liquid water potential
    ,
    «Theoretical Tools for in-silico spectroscopy»,
    Paris, 14-16 février 2008,
  • Claude Leforestier,
    The quest for a quantum water potential
    ,
    «Molecular potential energy surfaces in many dimensions»,
    Aberdeen (GB), 30 juin - 03 juillet 2008,
  • Claude Leforestier,
    A flexible water dimer potential from theoretical and experimental results
    ,
    «Intermolecular Interactions: New Challenges to ab Initio Theory»,
    Telluride, USA, juin 2006,
  • Claude Leforestier,
    Pseudo-spectral eigenvalues/eigenvectors calculations of large molecular systems
    ,
    «Mathematics in Chemistry»,
    Lisbonne, Portugal, juillet 2006,
  • Claude Leforestier,
    Role of the water dimer in the atmosphere
    ,
    «19th Colloquium on "High Resolution Molecular Spectroscopy"»,
    Salamanque, Espagne, juin 2005,
  • Claude Leforestier,
    Water dimers and weakly interacting species in atmospheric modeling
    ,
    «CECAM Workshop»,
    Lyon, France, avril 2005,

  • Communications orales