Carine Clavaguéra
Affiliations: | Ecole Polytechnique - CNRS |
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| Bowles J, Jähnigen S, Agostini F, et al. (2024) Vibrational circular dichroism spectroscopy with a classical polarizable force field: alanine in the gas and condensed phases. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202300982 |
| Clavaguéra C, Thaunay F, Ohanessian G. (2021) Manifolds of low energy structures for a magic number of hydrated sulfate: SO(HO). Physical Chemistry Chemical Physics : Pccp. 23: 24428-24438 |
| Le Barbu-Debus K, Bowles J, Jähnigen S, et al. (2020) Assessing cluster models of solvation for the description of vibrational circular dichroism spectra: synergy between static and dynamic approaches. Physical Chemistry Chemical Physics : Pccp |
| 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 |
| Nicol E, Clavaguéra C, Ohanessian G. (2019) Vibrational spectroscopy of deprotonated peptides containing an acidic side chain International Journal of Mass Spectrometry. 435: 42-50 |
| Thaunay F, Calvo F, Nicol E, et al. (2019) Cover Feature: Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence‐Bond Modeling (ChemPhysChem 6/2019) Chemphyschem. 20: 786-786 |
| Xémard M, Zimmer S, Cordier M, et al. (2018) Lanthanidocenes: Synthesis, Structure and Bonding of Linear Sandwich Complexes of Lanthanides. Journal of the American Chemical Society |
| 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 |
| Wu X, Clavaguera C, Lagardère L, et al. (2018) AMOEBA Polarizable Force Field Parameters of the Heme Cofactor in Its Ferrous and Ferric Forms. Journal of Chemical Theory and Computation. 14: 2705-2720 |
| 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 |