Rodolphe Vuilleumier
Affiliations: | École Normale Supérieure, Paris, Paris, France |
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| Jähnigen S, Sebastiani D, Vuilleumier R. (2021) The important role of non-covalent interactions for the vibrational circular dichroism of lactic acid in aqueous solution. Physical Chemistry Chemical Physics : Pccp. 23: 17232-17241 |
| Le Barbu-Debus K, Scherrer A, Bouchet A, et al. (2018) Effect of puckering motion and hydrogen bond formation on the vibrational circular dichroism spectrum of a flexible molecule: the case of (S)-1-indanol. Physical Chemistry Chemical Physics : Pccp |
| Khan S, Pollet R, Vuilleumier R, et al. (2017) An ab initio CASSCF study of zero field splitting fluctuations in the octet ground state of aqueous [Gd(iii)(HPDO3A)(H2O)]. The Journal of Chemical Physics. 147: 244306 |
| Scherrer A, Vuilleumier R, Sebastiani D. (2016) Vibrational circular dichroism from ab initio molecular dynamics and nuclear velocity perturbation theory in the liquid phase. The Journal of Chemical Physics. 145: 084101 |
| Jeanmairet G, Levesque M, Vuilleumier R, et al. (2013) Molecular Density Functional Theory of Water. The Journal of Physical Chemistry Letters. 4: 619-24 |
| Lasoroski A, Vuilleumier R, Pollet R. (2013) Hyperfine interactions in a gadolinium-based MRI contrast agent: high-frequency modulations from ab initio simulations. The Journal of Chemical Physics. 139: 104115 |
| Basire M, Borgis D, Vuilleumier R. (2013) Computing Wigner distributions and time correlation functions using the quantum thermal bath method: application to proton transfer spectroscopy. Physical Chemistry Chemical Physics : Pccp. 15: 12591-601 |
| Levesque M, Marry V, Rotenberg B, et al. (2012) Solvation of complex surfaces via molecular density functional theory. The Journal of Chemical Physics. 137: 224107 |
| Levesque M, Vuilleumier R, Borgis D. (2012) Scalar fundamental measure theory for hard spheres in three dimensions: application to hydrophobic solvation. The Journal of Chemical Physics. 137: 034115 |
| Vuilleumier R, Borgis D. (2012) Proton conduction: hopping along hydrogen bonds. Nature Chemistry. 4: 432-3 |