| Chemi-and bioluminescence of cyclic peroxides M Vacher, I Fdez. Galván, BW Ding, S Schramm, R Berraud-Pache, ... Chemical reviews 118 (15), 6927-6974, 2018 | 288 | 2018 |
| Luminescence and single-molecule magnet behavior in lanthanide complexes involving a tetrathiafulvalene-fused dipyridophenazine ligand F Pointillart, J Jung, R Berraud-Pache, B Le Guennic, V Dorcet, S Golhen, ... Inorganic chemistry 54 (11), 5384-5397, 2015 | 93 | 2015 |
| Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods A Sirohiwal, R Berraud-Pache, F Neese, R Izsák, DA Pantazis The Journal of Physical Chemistry B 124 (40), 8761-8771, 2020 | 79 | 2020 |
| Unveiling the photophysical properties of Boron-dipyrromethene dyes using a new accurate excited state coupled cluster method R Berraud-Pache, F Neese, G Bistoni, R Izsák Journal of Chemical Theory and Computation 16 (1), 564-575, 2019 | 77 | 2019 |
| Simulation and analysis of the spectroscopic properties of oxyluciferin and its analogues in water C Garcia-Iriepa, P Gosset, R Berraud-Pache, M Zemmouche, G Taupier, ... Journal of chemical theory and computation 14 (4), 2117-2126, 2018 | 43 | 2018 |
| Computational design of near-infrared fluorescent organic dyes using an accurate new wave function approach R Berraud-Pache, F Neese, G Bistoni, R Izsak The journal of physical chemistry letters 10 (17), 4822-4828, 2019 | 34 | 2019 |
| Beetle luciferases with naturally red-and blue-shifted emission C Carrasco-López, JC Ferreira, NM Lui, S Schramm, R Berraud-Pache, ... Life science alliance 1 (4), 2018 | 28 | 2018 |
| The Light Emitter of the 2‐Coumaranone Chemiluminescence: Theoretical and Experimental Elucidation of a Possible Model for Bioluminescent Systems S Schramm, I Navizet, P Naumov, NK Nath, R Berraud‐Pache, P Oesau, ... European Journal of Organic Chemistry 2016 (4), 678-681, 2016 | 28 | 2016 |
| QM/MM calculations on a newly synthesised oxyluciferin substrate: new insights into the conformational effect R Berraud-Pache, I Navizet Physical Chemistry Chemical Physics 18 (39), 27460-27467, 2016 | 26 | 2016 |
| Redesigning donor–acceptor Stenhouse adduct photoswitches through a joint experimental and computational study R Berraud-Pache, E Santamaría-Aranda, B de Souza, G Bistoni, F Neese, ... Chemical Science 12 (8), 2916-2924, 2021 | 23 | 2021 |
| QM/MM Study of the Formation of the Dioxetanone Ring in Fireflies through a Superoxide Ion R Berraud-Pache, R Lindh, I Navizet The Journal of Physical Chemistry B 122 (20), 5173-5182, 2018 | 20 | 2018 |
| Modeling Chemical Reactions by QM/MM Calculations: The Case of the Tautomerization in Fireflies Bioluminescent Systems R Berraud-Pache, C Garcia-Iriepa, I Navizet Frontiers in chemistry 6, 116, 2018 | 15 | 2018 |
| Potential energy surfaces of Charge Transfer states B Kozma, R Berraud-Pache, A Tajti, PG Szalay Molecular Physics 118 (19-20), e1776903, 2020 | 10 | 2020 |
| Biocomposites based on bentonite and lecithin: An experimental approach supported by molecular dynamics Q Li, R Berraud-Pache, Y Yang, C Souprayen, M Jaber Applied Clay Science 231, 106751, 2023 | 5 | 2023 |
| A new density for transition properties within the similarity transformed equation of motion approach S Ghosh, A Kumar Dutta, B de Souza, R Berraud-Pache, R Izsák Molecular Physics 118 (19-20), e1818858, 2020 | 4 | 2020 |
| Intercalation of lecithin into bentonite: pH dependence and intercalation mechanism Q Li, R Berraud-Pache, C Souprayen, M Jaber Applied Clay Science 244, 107079, 2023 | 2 | 2023 |
| Theoretical Studies of Chemiluminescence C Garcia-Iriepa, I Navizet, R Berraud-Pache A Comprehensive Guide to Chemiluminescence, 2019 | 1 | 2019 |
| Oily bioorganoclays in drilling fluids: Micro and macroscopic properties Q Li, L de Viguerie, L Laporte, R Berraud-Pache, G Zhuang, C Souprayen, ... Applied Clay Science 247, 107186, 2024 | | 2024 |
| Reversible inhibition of GluN2B-containing NMDA receptors with an in situ red-shifted, photoswitchable antagonist C Geoffroy, R Berraud-Pache, N Chéron, I McCort-Tranchepain, P Paoletti, ... bioRxiv, 2023.10. 16.562518, 2023 | | 2023 |
| 52.3: Invited Paper: Prediction of Excited State Lifetimes and Properties for OLED Materials Using Quantum Theory: The ORCA Software. B De Souza, C Riplinger, R Berraud-Pache SID Symposium Digest of Technical Papers 52, 620-620, 2021 | | 2021 |
