| Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems N Tancogne-Dejean, MJT Oliveira, X Andrade, H Appel, CH Borca, ... The Journal of chemical physics 152 (12), 2020 | 357 | 2020 |
| High-harmonic generation from few-layer hexagonal boron nitride: Evolution from monolayer to bulk response G Le Breton, A Rubio, N Tancogne-Dejean Physical Review B 98 (16), 165308, 2018 | 77 | 2018 |
| Molecular modeling of aqueous electrolytes at interfaces: Effects of long-range dispersion forces and of ionic charge rescaling G Le Breton, L Joly The Journal of Chemical Physics 152 (24), 2020 | 30 | 2020 |
| First hyperpolarizability of water at the air–vapor interface: a QM/MM study questions standard experimental approximations G Le Breton, O Bonhomme, PF Brevet, E Benichou, C Loison Physical Chemistry Chemical Physics 23 (43), 24932-24941, 2021 | 15 | 2021 |
| Lessons from combined experimental and theoretical examination of the FTIR and 2D-IR spectroelectrochemistry of the amide I region of cytochrome c Y El Khoury, G Le Breton, A Cunha, TLC Jansen, LJGW van Wilderen, ... The Journal of Chemical Physics 154 (12), 2021 | 12 | 2021 |
| First hyperpolarizability of water in bulk liquid phase: long-range electrostatic effects included via the second hyperpolarizability G Le Breton, O Bonhomme, E Benichou, C Loison Physical Chemistry Chemical Physics 24 (32), 19463-19472, 2022 | 11* | 2022 |
| Liquid Water: When Hyperpolarizability Fluctuations Boost and Reshape the Second Harmonic Scattering Intensities G Le Breton, O Bonhomme, E Benichou, C Loison The Journal of Physical Chemistry Letters 14 (18), 4158-4163, 2023 | 5 | 2023 |
| 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 … G Le Breton, O Bonhomme, E Benichou, C Loison The Journal of Chemical Physics 160 (19), 2024 | 1 | 2024 |
| Second harmonic generation of non-resonant liquid: from the molecular response to the experimental measurement G Le Breton Université Claude Bernard-Lyon I, 2022 | 1 | 2022 |
| Microscopic view on the polarization-resolved S-SHG intensity of the vapor/liquid interface of pure water G Le Breton, C Loison, K Vynck, E Benichou, O Bonhomme The Journal of Chemical Physics 161 (15), 2024 | | 2024 |
