Carine Clavaguéra

Affiliations: 
Ecole Polytechnique - CNRS 
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"Carine Clavaguéra"
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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
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