| Cholinium amino acid-based ionic liquids A Le Donne, E Bodo Biophysical reviews 13 (1), 147-160, 2021 | 41 | 2021 |
| Hydrogen bonding features in cholinium-based protic ionic liquids from molecular dynamics simulations M Campetella, A Le Donne, M Daniele, L Gontrani, S Lupi, E Bodo, ... The Journal of Physical Chemistry B 122 (9), 2635-2645, 2018 | 39 | 2018 |
| Hydrogen bonding as a clustering agent in protic ionic liquids: like-charge vs opposite-charge dimer formation A Le Donne, H Adenusi, F Porcelli, E Bodo ACS omega 3 (9), 10589-10600, 2018 | 20 | 2018 |
| Structural features of cholinium based protic ionic liquids through molecular dynamics A Le Donne, H Adenusi, F Porcelli, E Bodo The Journal of Physical Chemistry B 123 (26), 5568-5576, 2019 | 19 | 2019 |
| Intrusion and extrusion of liquids in highly confining media: Bridging fundamental research to applications A Le Donne, A Tinti, E Amayuelas, HK Kashyap, G Camisasca, ... Advances in Physics: X 7 (1), 2052353, 2022 | 15 | 2022 |
| CO2 Capture in Ionic Liquids Based on Amino Acid Anions With Protic Side Chains: a Computational Assessment of Kinetically Efficient Reaction Mechanisms S Onofri, H Adenusi, A Le Donne, E Bodo ChemistryOpen 9 (11), 1153-1160, 2020 | 15 | 2020 |
| Ab initio molecular dynamics study of phospho-amino acid-based ionic liquids: formation of zwitterionic anions in the presence of acidic side chains H Adenusi, A Le Donne, F Porcelli, E Bodo The Journal of Physical Chemistry B 124 (10), 1955-1964, 2020 | 12 | 2020 |
| Isomerization patterns and proton transfer in ionic liquids constituents as probed by ab-initio computation A Le Donne, E Bodo Journal of Molecular Liquids 249, 1075-1082, 2018 | 9 | 2018 |
| Optimization of the wetting-drying characteristics of hydrophobic metal organic frameworks via crystallite size: The role of hydrogen bonding between intruded and bulk liquid LJW Johnson, G Paulo, L Bartolomé, E Amayuelas, A Gubbiotti, D Mirani, ... Journal of Colloid and Interface Science 645, 775-783, 2023 | 8 | 2023 |
| Mechanism of water intrusion into flexible ZIF-8: Liquid is not vapor E Amayuelas, M Tortora, L Bartolomé, JD Littlefair, G Paulo, A Le Donne, ... Nano Letters 23 (12), 5430-5436, 2023 | 8 | 2023 |
| Strong intramolecular hydrogen bonding in protonated β-methylaminoalanine: A vibrational spectroscopic and computational study BD Linford, A Le Donne, D Scuderi, E Bodo, TD Fridgen European Journal of Mass Spectrometry 25 (1), 133-141, 2019 | 3 | 2019 |
| Assessing the propensity toward ionization in nanosized clusters of protic ionic liquids by Ab-initio methods A Le Donne, S Russo, E Bodo Chemical Physics 552, 111365, 2022 | 2 | 2022 |
| Effect of Crystallite Size on the Flexibility and Negative Compressibility of Hydrophobic Metal–Organic Frameworks LJW Johnson, D Mirani, A Le Donne, L Bartolomé, E Amayuelas, ... Nano Letters 23 (23), 10682-10686, 2023 | 1 | 2023 |
| A Computational Analysis of the Reaction of SO2 with Amino Acid Anions: Implications for Its Chemisorption in Biobased Ionic Liquids V Piacentini, A Le Donne, S Russo, E Bodo Molecules 27 (11), 3604, 2022 | 1 | 2022 |
| Hydrogen bonding in biocompatible ionic liquids: an ab-initio characterization of dimeric interactions A Le Donne, H Adenusi, F Porcelli, E Bodo Electronic Structure 3 (2), 025004, 2021 | 1 | 2021 |
| Disclosing the hierarchical structure of ionic liquid mixtures by multiscale computational methods A Mariani, L Engelbrecht, A Le Donne, F Mocci, E Bodo, S Passerini Theoretical and Computational Approaches to Predicting Ionic Liquid …, 2021 | 1 | 2021 |
| Exploring the Heat of Water Intrusion into a Metal–Organic Framework by Experiment and Simulation AR Lowe, P Ślęczkowski, E Arkan, A Le Donne, L Bartolomé, ... ACS Applied Materials & Interfaces, 2024 | | 2024 |
| Tuning Wetting–Dewetting Thermomechanical Energy for Hydrophobic Nanopores via Preferential Intrusion L Bartolomé, A Anagnostopoulos, AR Lowe, P Ślęczkowski, ... The Journal of Physical Chemistry Letters 15, 880-887, 2024 | | 2024 |
| Hydrophobicity of molecular-scale textured surfaces: The case of zeolitic imidazolate frameworks, an atomistic perspective A Le Donne, JD Littlefair, M Tortora, S Merchiori, L Bartolomé, Y Grosu, ... The Journal of Chemical Physics 159 (18), 2023 | | 2023 |
