Carine Clavaguera

All papers authored by Carine Clavaguera

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2022 Rika Tandiana, Cécile Sicard-Roselli, Nguyen-Thi Van-Oanh

, Stephan Steinmann

, Carine Clavaguéra

In-depth theoretical understanding of the chemical interaction of aromatic compounds with a gold nanoparticle

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2019 Edith Nicol

, Carine Clavaguéra

, Gilles Ohanessian

Vibrational spectroscopy of deprotonated peptides containing an acidic side chain

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2018 Pierre-Arnaud Artola, Bernard Rousseau

, Carine Clavaguéra

, Marion Roy, Dominique You, Gabriel Plancque

Preventing iron(ii) precipitation in aqueous systems using polyacrylic acid: some molecular insights

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Mathieu Xémard, Marie Cordier, Elisa Louyriac, Laurent Maron, Carine Clavaguéra

, Grégory Nocton

Small molecule activation with divalent samarium triflate: a synergistic effort to cleave O2

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2017 Mathieu Xémard, Arnaud Jaoul, Marie Cordier, Florian Molton, Olivier Cador

, Boris Le Guennic

, Carole Duboc, Olivier Maury, Carine Clavaguéra

, Grégory Nocton

Rücktitelbild: Divalent Thulium Triflate: A Structural and Spectroscopic Study (Angew. Chem. 15/2017)

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Mathieu Xémard, Arnaud Jaoul, Marie Cordier, Florian Molton, Olivier Cador

, Boris Le Guennic

, Carole Duboc, Olivier Maury

, Carine Clavaguéra

, Grégory Nocton

Back Cover: Divalent Thulium Triflate: A Structural and Spectroscopic Study (Angew. Chem. Int. Ed. 15/2017)

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Aurélien de la Lande, Carine Clavaguéra

, Andreas Köster

On the accuracy of population analyses based on fitted densities#

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Florian Thaunay, Gilles Ohanessian, Carine Clavaguéra

Dynamics of ions in a water drop using the AMOEBA polarizable force field

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Florian Thaunay, Florent Calvo, Gilles Ohanessian, Carine Clavaguera

Empirical Valence Bond Models Based on Polarizable Force Fields for Infrared Spectroscopy

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2016 Chandramohan Jana, Gilles Ohanessian, Carine Clavaguéra

Theoretical insight into the coordination number of hydrated $\mathrm{Zn}^{2+}$ Zn 2 + from gas phase to solution

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Florent Calvo, Marie-Christine Bacchus-Montabonel, Carine Clavaguera

Stepwise Hydration of 2-Aminooxazole: Theoretical Insight into the Structure, Finite Temperature Behavior and Proton-Induced Charge Transfer

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Arnaud Jaoul, Carine Clavaguéra

, Grégory Nocton

Electron transfer in tetramethylbiphosphinine complexes of Cp*2Yb and Cp*2Sm

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Valeria Lepere, Katia Le Barbu-Debus, Carine Clavaguéra

, Debora Scuderi, Giovanni Piani, Anne-Laure Simon, Fabien Chirot, Luke MacAleese

, Philippe Dugourd, Anne Zehnacker

Chirality-dependent structuration of protonated or sodiated polyphenylalanines: IRMPD and ion mobility studies

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2015 Florian Thaunay, Jean-Pierre Dognon, Gilles Ohanessian, Carine Clavaguera

, Carine Clavagué

Vibrational mode assignment of finite temperature infrared spectra using the AMOEBA polarizable force field †

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Pekka Pyykko, Carine Clavaguera

, Jean-Pierre Dognon, M. Dolg

The 32-Electron Principle: A New Magic Number

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2014 Manjeet Kumar, Thomas Simonson, Gilles Ohanessian, Carine Clavaguéra

Structure and Thermodynamics of Mg:Phosphate Interactions in Water: A Simulation Study

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Ashwani Sharma, Gilles Ohanessian, Carine Clavaguéra

Accuracy of density functionals in the description of dispersion interactions and IR spectra of phosphates and phosphorylated compounds

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Léa Jacquot, Mathieu Xémard, Carine Clavaguéra

, Grégory Nocton

Multiple One-Electron Transfers in Bipyridine Complexes of Bis(phospholyl) Thulium

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David Semrouni, Ashwani Sharma, Jean-Pierre Dognon, Gilles Ohanessian, Carine Clavaguéra

Finite Temperature Infrared Spectra from Polarizable Molecular Dynamics Simulations

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Aude Marjolin, Christophe Gourlaouen, Carine Clavaguéra

, Pengyu Y. Ren

, Jean-Philip Piquemal, Jean-Pierre Dognon

Hydration gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics

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All papers authored by Carine Clavaguera