| The fate of water at the electrochemical interfaces: electrochemical behavior of free water versus coordinating water N Dubouis, A Serva, E Salager, M Deschamps, M Salanne, A Grimaud The journal of physical chemistry letters 9 (23), 6683-6688, 2018 | 113 | 2018 |
| Tuning water reduction through controlled nanoconfinement within an organic liquid matrix N Dubouis, A Serva, R Berthin, G Jeanmairet, B Porcheron, E Salager, ... Nature Catalysis 3 (8), 656-663, 2020 | 106 | 2020 |
| MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems A Marin-Laflèche, M Haefele, L Scalfi, A Coretti, T Dufils, G Jeanmairet, ... Journal of Open Source Software 5 (53), 2373, 2020 | 76 | 2020 |
| Development of Lennard-Jones and Buckingham potentials for lanthanoid ions in water V Migliorati, A Serva, FM Terenzio, P D’Angelo Inorganic chemistry 56 (11), 6214-6224, 2017 | 65 | 2017 |
| Structural properties of geminal dicationic ionic liquid/water mixtures: a theoretical and experimental insight A Serva, V Migliorati, A Lapi, G Aquilanti, A Arcovito, P D'Angelo Physical Chemistry Chemical Physics 18 (24), 16544-16554, 2016 | 51 | 2016 |
| Local order and long range correlations in imidazolium halide ionic liquids: a combined molecular dynamics and XAS study V Migliorati, A Serva, G Aquilanti, S Pascarelli, P D'Angelo Physical Chemistry Chemical Physics 17 (25), 16443-16453, 2015 | 44 | 2015 |
| Influence of counterions on the hydration structure of lanthanide ions in dilute aqueous solutions V Migliorati, A Serva, F Sessa, A Lapi, P D’Angelo The Journal of Physical Chemistry B 122 (10), 2779-2791, 2018 | 41 | 2018 |
| Molecular fingerprints of hydrophobicity at aqueous interfaces from theory and vibrational spectroscopies S Pezzotti, A Serva, F Sebastiani, FS Brigiano, DR Galimberti, L Potier, ... The Journal of Physical Chemistry Letters 12 (15), 3827-3836, 2021 | 40 | 2021 |
| 2D-HB-Network at the air-water interface: A structural and dynamical characterization by means of ab initio and classical molecular dynamics simulations S Pezzotti, A Serva, MP Gaigeot The Journal of chemical physics 148 (17), 2018 | 38 | 2018 |
| On the coordination of Zn 2+ ion in Tf 2 N− based ionic liquids: structural and dynamic properties depending on the nature of the organic cation F Sessa, V Migliorati, A Serva, A Lapi, G Aquilanti, G Mancini, P D'Angelo Physical Chemistry Chemical Physics 20 (4), 2662-2675, 2018 | 38 | 2018 |
| Combining EXAFS spectroscopy and molecular dynamics simulations to understand the structural and dynamic properties of an imidazolium iodide ionic liquid V Migliorati, A Serva, G Aquilanti, L Olivi, S Pascarelli, O Mathon, ... Physical Chemistry Chemical Physics 17 (4), 2464-2474, 2015 | 38 | 2015 |
| Structural properties and aggregation behavior of 1-hexyl-3-methylimidazolium iodide in aqueous solutions P D’Angelo, A Serva, G Aquilanti, S Pascarelli, V Migliorati The Journal of Physical Chemistry B 119 (45), 14515-14526, 2015 | 37 | 2015 |
| Effect of the metallicity on the capacitance of gold-aqueous sodium chloride interfaces A Serva, L Scalfi, B Rotenberg, M Salanne The Journal of Chemical Physics 155 (4), 044703, 2021 | 34 | 2021 |
| Confining water in ionic and organic solvents to tune its adsorption and reactivity at electrified interfaces A Serva, N Dubouis, A Grimaud, M Salanne Accounts of Chemical Research 54 (4), 1034-1042, 2021 | 29 | 2021 |
| Size dependence of hydrophobic hydration at electrified gold/water interfaces A Serva, M Salanne, M Havenith, S Pezzotti Proceedings of the National Academy of Sciences 118 (15), e2023867118, 2021 | 28 | 2021 |
| Combining ab-initio and classical molecular dynamics simulations to unravel the structure of the 2D-HB-network at the air-water interface A Serva, S Pezzotti, S Bougueroua, DR Galimberti, MP Gaigeot Journal of Molecular Structure 1165, 71-78, 2018 | 28 | 2018 |
| MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes A Coretti, C Bacon, R Berthin, A Serva, L Scalfi, I Chubak, K Goloviznina, ... The Journal of Chemical Physics 157 (18), 2022 | 27 | 2022 |
| How Does CeIII Nitrate Dissolve in a Protic Ionic Liquid? A Combined Molecular Dynamics and EXAFS Study A Serva, V Migliorati, R Spezia, P d'Angelo Chemistry–A European Journal 23 (35), 8424-8433, 2017 | 22 | 2017 |
| Unexpectedly high capacitance of the metal nanoparticle/water interface: molecular‐level insights into the electrical double layer M Azimzadeh Sani, NG Pavlopoulos, S Pezzotti, A Serva, P Cignoni, ... Angewandte Chemie 134 (5), e202112679, 2022 | 18 | 2022 |
| Solvation of anthraquinone and TEMPO redox-active species in acetonitrile using a polarizable force field R Berthin, A Serva, KG Reeves, E Heid, C Schröder, M Salanne The Journal of Chemical Physics 155 (7), 2021 | 15 | 2021 |
