Publications ( 84 )


Insights into the C-Cl Bond Breaking in Epichlorohydrin Induced by Low Energy (<10 eV) Electrons
Hassan Abdoul-Carime, Louisa Castel, Franck Rabilloud
Molecules, vol. 29, p6051 (2024)
Neural Network Approach for Predicting Infrared Spectra from 3D Molecular Structure
Saleh Abdul Al, Abdul-Rahman Allouche
Chemical Physics Letters, vol. 856, p141603 (2024)
Production of Nitrogen Dioxide, NO2 – , Anion from Dissociative Electron Attachment to Nitromethane below 1 eV and Its Temperature Dependence: Direct vs Dipole Bound Mediated Processes
Hassan Abdoul-Carime, Guillaume Thiam, Franck Rabilloud
Journal of Physical Chemistry Letters, vol. 15, p10329-10333 (2024)
Orbital magnetism through inverse Faraday effect in metal clusters
Deru Lian, Yanji Yang, Giovanni Manfredi, Paul-Antoine Hervieux, Rajarshi Sinha-Roy
Nanophotonics (2024)
Low Energy (<10 eV) Electron Collision with Benzonitrile‐CCl4 Admixture: A Combined Theoretical and Experimental Study
Hassan Abdoul-Carime, Guillaume Thiam, Franck Rabilloud
ChemPhysChem, vol. 25, pe202400287 (2024)
Theoretical study of the Ca + − He ionic system with spin–orbit coupling
L Yandjah, O Smida, K Alioua, Abdul-Rahman Allouche, N Lamoudi, M Bouazza
Physica Scripta, vol. 99, p035410 (2024)
FROG: exploiting all-atom Molecular Dynamics trajectories to calculate linear and non-linear optical responses of molecular liquids within Dalton's QM/MM polarizable embedding scheme
Guillaume Le Breton, Oriane Bonhomme, Emmanuel Benichou, Claire Loison
The Journal of Chemical Physics, vol. 160, p194103 (2024)
Novel Approach for Predicting Vertical Electron Attachment Energies in Bulk-Solvated Molecules
Matheus Kiataki, Márcio Varella, Kaline Coutinho, Franck Rabilloud
Journal of Chemical Theory and Computation, vol. 20, p4893–4900 (2024)
Microscopic view on the polarization-resolved S-SHG intensity of the vapor/liquid interface of pure water
The Journal of Chemical Physics, vol. 161, p154712 (2024)
Experimental and Theoretical Investigations of the Fragmentation of Ethylenediamine Induced by Low-Energy (<10 eV) Electrons
Hassan Abdoul-Carime, Elena Lys, Jeanne Gipouloux, Franck Rabilloud
Molecules, vol. 29, p191 (2023)
Size Effect in Correlation-Driven Charge Migration in Correlation Bands of Alkyne Chains
Enguerran Belles, Franck Rabilloud, Alexander Kuleff, V. Despré
Journal of Physical Chemistry A, vol. 128, p163-169 (2023)
Phosphorus, cobalt‐phosphorus, and nickel‐phosphorus clusters: Growth behavior, electronic, and magnetic properties
M. Roumili, S. Mahtout, K. Baddari, M. Lasmi, Franck Rabilloud
International Journal of Quantum Chemistry, vol. 123, pe27189 (2023)
Observation of Nuclear Wave-Packet Interference in Ultrafast Interatomic Energy Transfer
Meng Han, Jacqueline Fedyk, Jia-Bao Ji, V. Despré, Alexander Kuleff, Hans Jakob Wörner
Physical Review Letters, vol. 130, p253202 (2023)
How Accurately Can DFT Describe Non-valence Anions?
Guillaume Thiam, Franck Rabilloud
Journal of Chemical Theory and Computation, vol. 19, p2842-2849 (2023)
Visualizing screening in noble-metal clusters: static vs. dynamic
Rajarshi Sinha-Roy, Pablo García-González, Xóchitl López-Lozano, H.C. Weissker
Physical Chemistry Chemical Physics, vol. 25, p2075-2083 (2023)
Inviting C5-Trifluoromethylated Pseudoprolines into Collagen Mimetic Peptides
Anaïs Terrien, Keyvan Rahgoshay, Emelyne Renaglia, Nathalie Lensen, Yves Jacquot, Rodrigue Marquant, Thierry Brigaud, Claire Loison, Grégory Chaume, E Miclet
Biomacromolecules, vol. 24, p1555-1562 (2023)
Liquid Water: When Hyperpolarizability Fluctuations Boost and Reshape the Second Harmonic Scattering Intensities
Journal of Physical Chemistry Letters, vol. 14, p4158-4163 (2023)
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