Carine Clavaguéra
Affiliations: | Ecole Polytechnique - CNRS |
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| Thaunay F, Calvo F, Nicol E, et al. (2019) Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence Bond Modeling. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry |
| Kumar M, Simonson T, Ohanessian G, et al. (2018) Corrigendum: Structure and Thermodynamics of Mg:Phosphate Interactions in Water: A Simulation Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 19: 1117 |
| Thaunay F, Jana C, Clavaguera C, et al. (2017) A Strategy for Modeling the Infrared Spectra of Ion-Containing Water Drops. The Journal of Physical Chemistry. A |
| Lepere V, Le Barbu-Debus K, Clavaguéra C, et al. (2015) Chirality-dependent structuration of protonated or sodiated polyphenylalanines: IRMPD and ion mobility studies. Physical Chemistry Chemical Physics : Pccp |
| Thaunay F, Dognon JP, Ohanessian G, et al. (2015) Vibrational mode assignment of finite temperature infrared spectra using the AMOEBA polarizable force field. Physical Chemistry Chemical Physics : Pccp. 17: 25968-77 |
| Thaunay F, Clavaguéra C, Ohanessian G. (2015) Hydration of the sulfate dianion in cold nanodroplets: SO4(2-)(H2O)12 and SO4(2-)(H2O)13. Physical Chemistry Chemical Physics : Pccp. 17: 25935-45 |
| Kumar M, Simonson T, Ohanessian G, et al. (2015) Structure and thermodynamics of Mg:phosphate interactions in water: a simulation study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 658-65 |
| Semrouni D, Sharma A, Dognon JP, et al. (2014) Finite Temperature Infrared Spectra from Polarizable Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 10: 3190-9 |
| Marjolin A, Gourlaouen C, Clavaguéra C, et al. (2014) Hydration Gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics. Journal of Molecular Modeling. 20: 2471 |
| Sharma A, Ohanessian G, Clavaguéra C. (2014) Accuracy of density functionals in the description of dispersion interactions and IR spectra of phosphates and phosphorylated compounds. Journal of Molecular Modeling. 20: 2426 |