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Competition between ordered morphologies of functionalized silver nanoparticles elucidated by a joint experimental and multiscale theoretical study
Competition between ordered morphologies of functionalized silver nanoparticles elucidated by a joint experimental and multiscale theoretical study
David Loffreda, Nathalie Tarrat, Corinne Lacaze-Dufaure, Franck Rabilloud, Katia Fajerwerg, Myrtil L Kahn, V. Collière, Christine Lepetit, Pierre Fau
Nano Today, vol. 62, p102662 (2025)
Neural Network Atomistic Potential for Pyrophyllite Clay Simulations
Neural Network Atomistic Potential for Pyrophyllite Clay Simulations
Chloe Sanz, Abdul-Rahman Allouche, Colin Bousige, Pierre Mignon
Journal of Physical Chemistry A, vol. 129, p3567-3577 (2025)
Enhancement in the Nonlinear Optical Properties of Silver Nanoprisms through Graphene Oxide Anchoring
Enhancement in the Nonlinear Optical Properties of Silver Nanoprisms through Graphene Oxide Anchoring
Fadeela Chundekatt Ummer, Hao Yuan, I. Russier-Antoine, Fabien Rondepierre, P.F. Brevet, Pierre Mignon, Nandakumar Kalarikkal, Rodolphe Antoine
Journal of Materials Chemistry C (2025)
Insights into the C-Cl Bond Breaking in Epichlorohydrin Induced by Low Energy (<10 eV) Electrons
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
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
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
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
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
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)
Microscopic view on the polarization-resolved S-SHG intensity of the vapor/liquid interface of pure water
Microscopic view on the polarization-resolved S-SHG intensity of the vapor/liquid interface of pure water
Guillaume Le Breton, Claire Loison, Kevin Vynck, Emmanuel Benichou, Oriane Bonhomme
The Journal of Chemical Physics, vol. 161, p154712 (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
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
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)
Experimental and Theoretical Investigations of the Fragmentation of Ethylenediamine Induced by Low-Energy (<10 eV) Electrons
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
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
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
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?
How Accurately Can DFT Describe Non-valence Anions?
Guillaume Thiam, Franck Rabilloud
Journal of Chemical Theory and Computation, vol. 19, p2842-2849 (2023)

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