| Hosting Adamantane in the Substrate Pocket of Laccase: Direct Bioelectrocatalytic Reduction of O2 on Functionalized Carbon Nanotubes N Lalaoui, R David, H Jamet, M Holzinger, A Le Goff, S Cosnier ACS Catalysis 6 (7), 4259-4264, 2016 | 66 | 2016 |
| Effect of Oxidation Level on the Interfacial Water at the Graphene Oxide–Water Interface: From Spectroscopic Signatures to Hydrogen-Bonding Environment R David, A Tuladhar, L Zhang, C Arges, R Kumar The Journal of Physical Chemistry B 124 (37), 8167-8178, 2020 | 34 | 2020 |
| Room-Temperature Characterization of a Mixed-Valent μ-Hydroxodicopper (II, III) Complex JA Isaac, F Gennarini, I López, A Thibon-Pourret, R David, G Gellon, ... Inorganic Chemistry 55 (17), 8263-8266, 2016 | 32 | 2016 |
| Acids at the Edge: Why Nitric and Formic Acid Dissociations at Air–Water Interfaces Depend on Depth and on Interface Specific Area M de la Puente, R David, A Gomez, D Laage Journal of the American Chemical Society 144 (23), 10524-10529, 2022 | 29 | 2022 |
| Influence of asymmetry on the redox properties of phenoxo-and hydroxo-bridged dicopper complexes: Spectroelectrochemical and theoretical studies F Gennarini, R David, I López, Y Le Mest, M Réglier, C Belle, ... Inorganic chemistry 56 (14), 7707-7719, 2017 | 28 | 2017 |
| Effect of Monoelectronic Oxidation of an Unsymmetrical Phenoxido-Hydroxido Bridged Dicopper (II) Complex A Thibon-Pourret, F Gennarini, R David, JA Isaac, I Lopez, G Gellon, ... Inorganic chemistry 57 (19), 12364-12375, 2018 | 17 | 2018 |
| Reactive Events at the Graphene Oxide-Water Interface R David, R Kumar Chemical Communications, 2021 | 15 | 2021 |
| Interfacial Water at Graphene Oxide Surface: Ordered or Disordered? V Subasinghege Don, R David, P Du, A Milet, R Kumar The Journal of Physical Chemistry B 123 (7), 1636-1649, 2019 | 15 | 2019 |
| Tetranuclear and dinuclear phenoxido bridged copper complexes based on unsymmetrical thiosemicarbazone ligands JA Isaac, AT Mansour, R David, A Kochem, C Philouze, S Demeshko, ... Dalton Transactions 47 (29), 9665-9676, 2018 | 12 | 2018 |
| Effect of anion identity on ion association and dynamics of sodium ions in non-aqueous glyme based electrolytes—OTf vs TFSI K Li, V Subasinghege Don, CS Gupta, R David, R Kumar The Journal of chemical physics 154 (18), 2021 | 11 | 2021 |
| Iron hydroperoxide intermediate in Superoxide Reductase: Protonation or Dissociation First? MM Dynamics and QM/MM Metadynamics study. R David, H Jamet, V Niviere, Y Moreau, A Milet Journal of Chemical Theory and Computation 13 (6), 2987–3004, 2017 | 10 | 2017 |
| Unraveling the Role of Charge Patterning in the Micellar Structure of Sequence-Defined Amphiphilic Peptoid Oligomers by Molecular Dynamics Simulations E Tsai, HK Gallage Dona, X Tong, P Du, B Novak, R David, SW Rick, ... Macromolecules 55 (12), 5197-5212, 2022 | 9 | 2022 |
| Theoretical Study, Synthesis, and Reactivity of Five‐Membered‐Ring Acyl Sulfonium Cations KV Rao, N Caiveau, R David, I Shalayel, A Milet, Y Vallée European Journal of Organic Chemistry 2015 (28), 6125-6129, 2015 | 5 | 2015 |
| A bio-inspired heterodinuclear hydrogenase CoFe complex L Sun, SM Adam, W Mokdad, R David, A Milet, V Artero, C Duboc Faraday Discussions 234, 34-41, 2022 | 3 | 2022 |
| Ion Pairing in HCl–Water Clusters: From Electronic Structure Investigations to Multiconfigurational Force-Field Development CG Bresnahan, R David, A Milet, R Kumar The Journal of Physical Chemistry A 123 (43), 9371-9381, 2019 | 3 | 2019 |
| Molecular mechanisms of phosphoester bond formation in abiotic conditions with reactive neural network potentials Z Benayad, R David, G Stirnemann | 1 | 2023 |
| Adsorption Studies at the Graphene Oxide–Liquid Interface: A Molecular Dynamics Study V Subasinghege Don, L Kim, R David, JA Nauman, R Kumar The Journal of Physical Chemistry C 127 (12), 5920-5930, 2023 | 1 | 2023 |
| Investigating graphene oxide-aqueous interfaces R Kumar, R David, V Subasinghege Don Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Investigation of ion-pairing and covalent states in hydrated HCl: From clusters to the air-water interface R Kumar, C Bresnahan, R David ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Computational studies of an acidic proton at the graphene-oxide-water interface R David, VKSS Don, P Du, A Milet, R Kumar ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
