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Tamara Shaaban, Hanna Oher, Jean Aupiais, Julie Champion, André Severo Pereira Gomes, et al.. Is the protactinium(V) mono-oxo bond weaker than what we thought?. Chemical Communications, 2024, 60, pp.14376-14379. ⟨10.1039/D4CC04522J⟩. ⟨hal-04690060⟩

Gema Raposo-Hernández, Rafael Pappalardo, Florent Réal, Valérie Vallet, Enrique Sánchez Marcos. Towards a Realistic Theoretical Electronic Spectra of Metal Aqua Ions in Solution: The Case of Ce(H₂O)_n³⁺ Using Statistical Methods and Quantum Chemistry Calculation. The Journal of Chemical Physics, 2024, 161 (14), pp.144109. ⟨10.1063/5.0228155⟩. ⟨hal-04723040⟩

Gilberto Alou Angulo, Alejandro Rivero Santamaría, Céline Toubin, Maurice Monnerville. Ab Initio Molecular Dynamics calculations on NO oxidation over oxygen functionalized Highly Oriented Pyrolytic Graphite. Journal of Physical Chemistry C, 2024, 128 (42), pp.17894-17904. ⟨10.1021/acs.jpcc.4c03961⟩. ⟨hal-04629324⟩

Alejandro Rivero Santamaría, Pascal Larregaray, Laurent Bonnet, Fabrice Dayou, Maurice Monnerville. The Intricate Dynamics of the Si(³P) + OH(X²Π) Reaction. Journal of Physical Chemistry A, 2019, 123 (36), pp.7683-7692. ⟨10.1021/acs.jpca.9b04699⟩. ⟨hal-02321818v2⟩

Małgorzata Śmiałek, Denis Duflot, Nykola C. Jones, Søren Vrønning Hoffmann, Lucia Zuin, et al.. On the electronic structure of methyl butyrate and methyl valerate. The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2020, 74 (7), pp.153. ⟨10.1140/epjd/e2020-10125-5⟩. ⟨hal-02899362⟩

Jaiswal Vaibhav, Luiz Leal, Nicolas Leclaire, Florent Réal, Valérie Vallet. Evaluation of thermal scattering law for light water based on new time-of-flight measurements at the Institute Laue-Langevin (ILL). PHYTRA4 - The 4th International Conference on Physics and Technology of Reactors and Applications, Sep 2018, Marrakech, Morocco. ⟨hal-02377307⟩

Yuri Bedjanian, Antoine Roose, Valérie Vallet, Manolis Romanias. Experimental and Theoretical Study of the Reaction of F₂ with Thiirane. Molecules, 2024, 29 (15), pp.3636. ⟨10.3390/molecules29153636⟩. ⟨hal-04667172⟩

Eric Michoulier, Céline Toubin, Aude Simon, Joëlle Mascetti, Christian Aupetit, et al.. Perturbation of the Surface of Amorphous Solid Water by the Adsorption of Polycyclic Aromatic Hydrocarbons. Journal of Physical Chemistry C, 2020, 124 (5), pp.2994-3001. ⟨10.1021/acs.jpcc.9b09499⟩. ⟨hal-02447448⟩

Eric Michoulier, Nadia Ben Amor, Mathias Rapacioli, Jennifer Anna Noble, Joëlle Mascetti, et al.. Theoretical determination of adsorption and ionisation energies of polycyclic aromatic hydrocarbons on water ice. Physical Chemistry Chemical Physics, 2018, 20, pp.11941-11953. ⟨10.1039/C8CP01175C⟩. ⟨hal-01764650⟩