| Oxazines: a new class of second-order nonlinear optical switches P Beaujean, F Bondu, A Plaquet, J Garcia-Amorós, J Cusido, FM Raymo, ... Journal of the American Chemical Society 138 (15), 5052-5062, 2016 | 115 | 2016 |
| Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyanines L Lescos, SP Sitkiewicz, P Beaujean, M Blanchard-Desce, B Champagne, ... Physical Chemistry Chemical Physics 22 (29), 16579-16594, 2020 | 60 | 2020 |
| Combining Benzazolo-Oxazolidine Twins toward Multi-state Nonlinear Optical Switches J Quertinmont, P Beaujean, J Stiennon, Y Aidibi, P Leriche, V Rodriguez, ... The Journal of Physical Chemistry B 125 (15), 3918-3931, 2021 | 22 | 2021 |
| Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: From Small to Extended π-Conjugated Molecules B Champagne, P Beaujean, M de Wergifosse, MH Cardenuto, V Liégeois, ... Frontiers of Quantum Chemistry, 117-138, 2018 | 18 | 2018 |
| Helical molecular redox actuators with pancake bonds? P Beaujean, M Kertesz Péter R. Surján: A Festschrift from Theoretical Chemistry Accounts, 47-56, 2016 | 15 | 2016 |
| Coupled cluster evaluation of the frequency dispersion of the first and second hyperpolarizabilities of water, methanol, and dimethyl ether P Beaujean, B Champagne The Journal of chemical physics 145 (4), 044311, 2016 | 13 | 2016 |
| Coupled cluster investigation of the vibrational and electronic second and third harmonic scattering hyperpolarizabilities of the water molecule P Beaujean, B Champagne The Journal of Chemical Physics 151 (6), 064303, 2019 | 12 | 2019 |
| Coupled cluster evaluation of the second and third harmonic scattering responses of small molecules P Beaujean, B Champagne Theoretical Chemistry Accounts 137 (4), 50, 2018 | 11 | 2018 |
| Self-assembling, structure and nonlinear optical properties of fluorescent organic nanoparticles in water L Lescos, P Beaujean, C Tonnelé, P Aurel, M Blanchard-Desce, ... Physical Chemistry Chemical Physics 23 (41), 23643-23654, 2021 | 9 | 2021 |
| Unraveling the Symmetry Effects on the Second-Order Nonlinear Optical Responses of Molecular Switches: The Case of Ruthenium Complexes P Beaujean, B Champagne Inorganic Chemistry 61 (4), 1928-1940, 2022 | 8 | 2022 |
| Frontiers of Quantum Chemistry B Champagne, P Beaujean, M de Wergifosse, MH Cardenuto, V Liégeois, ... Wojcik, M., Nakatsuji, H., Kirtman, B., Ozaki, Y., Eds, 117-138, 2018 | 7 | 2018 |
| Ultrafast Evaluation of Two-Photon Absorption with Simplified Time-Dependent Density Functional Theory M de Wergifosse, P Beaujean, S Grimme The Journal of Physical Chemistry A 126 (41), 7534-7547, 2022 | 5 | 2022 |
| All-Atom Quantum Mechanical Calculation of the Second-Harmonic Generation of Fluorescent Proteins P Beaujean, B Champagne, S Grimme, M de Wergifosse The Journal of Physical Chemistry Letters 12 (39), 9684-9690, 2021 | 5 | 2021 |
| A molecular loaded dice: When the π conjugation breaks the statistical addressability of an octastate multimodal molecular switch Y Aidibi, P Beaujean, J Quertinmont, J Stiennon, M Hodée, P Leriche, ... Dyes and Pigments 202, 110270, 2022 | 4 | 2022 |
| Multi-State Second-Order Nonlinear Optical Switches Incorporating One to Three Benzazolo-Oxazolidine Units: A Quantum Chemistry Investigation P Beaujean, L Sanguinet, V Rodriguez, F Castet, B Champagne Molecules 27 (9), 2770, 2022 | 4 | 2022 |
| First hyperpolarizability of the di-8-ANEPPS and DR1 nonlinear optical chromophores in solution. An experimental and multi-scale theoretical chemistry study C Bouquiaux, P Beaujean, TN Ramos, F Castet, V Rodriguez, ... The Journal of chemical physics 159 (17), 174307, 2023 | 2 | 2023 |
| HPC+ in the medical field: Overview and current examples M Koch, C Arlandini, G Antonopoulos, A Baretta, P Beaujean, GJ Bex, ... Technology and Health Care 31 (4), 1509-1523, 2023 | 2 | 2023 |
| A quantum chemical investigation of the second hyperpolarizability of p-nitroaniline KS Kaka, P Beaujean, F Castet, B Champagne The Journal of Chemical Physics 159 (11), 2023 | 1 | 2023 |
| Electrochemically‐Switched 2nd Order Non‐Linear Optical Response in an Arylimido‐Polyoxometalate with High Contrast and Cyclability BR Hood, Y de Coene, AV Torre Do Vale Froes, CF Jones, P Beaujean, ... Angewandte Chemie 135 (5), e202215537, 2023 | 1 | 2023 |
| Multimillion Atom Simulations of Di-8-ANEPPS Chromophores Embedded in a Model Plasma Membrane: Toward the Investigation of Realistic Dyed Cell Membranes C Bouquiaux, B Champagne, P Beaujean Journal of chemical information and modeling 64 (2), 518-531, 2023 | | 2023 |
Vincent RodriguezProfessor in Physical Chemistry, University of BordeauxVerified email at u-bordeaux.fr
