SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

LE DONNE, ANDREA

LE DONNE, ANDREA  

Dipartimento di Scienze chimiche, farmaceutiche ed agrarie  

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Risultati 1 - 20 di 24 (tempo di esecuzione: 0.026 secondi).
Titolo Data di pubblicazione Autore(i) File
A Computational Analysis of the Reaction of SO2 with Amino Acid Anions: Implications for Its Chemisorption in Biobased Ionic Liquids 2022 Piacentini, V; Le Donne, A; Russo, S; Bodo, E file con accesso da definire
Ab initio molecular dynamics study of phospho-amino acid-based ionic liquids: formation of zwitterionic anions in the presence of acidic side chains 2020 Adenusi, Henry; Le Donne, Andrea; Porcelli, Francesco; Bodo, Enrico file con accesso da definire
Assessing the Propensity Toward Ionization in Nanosized Clusters of Protic Ionic Liquids by Ab-initio Methods 2022 Le Donne, Andrea; Russo, Stefano; Bodo, Enrico file con accesso da definire
Cholinium amino acid-based ionic liquids 2021 Le Donne, Andrea; Bodo, Enrico file con accesso da definire
CO2 Capture in Ionic Liquids Based on Amino Acid Anions With Protic Side Chains: a Computational Assessment of Kinetically Efficient Reaction Mechanisms 2020 Onofri, Stefano; Adenusi, Henry; Le Donne, Andrea; Bodo, Enrico file con accesso da definire
Counterintuitive Trend of Intrusion Pressure with Temperature in the Hydrophobic Cu2(tebpz) MOF 2024 Merchiori, Sebastiano; Donne, Andrea Le; Bhatia, Ribhu; Alvelli, Marta; Yu, Jiang‐jing; Wu, Xu‐do... espanding; Li, Mian; Li, Dan; Scheller, Lukasz; Lowe, Alexander R.; Geppert‐rybczynska, Monika; Trump, Benjamin A.; Yakovenko, Andrey A.; Chorążewski, Mirosław; Zajdel, Paweł; Grosu, Yaroslav; Meloni, Simone
Disclosing the hierarchical structure of ionic liquid mixtures by multiscale computational methods 2021 Mariani, A.; Engelbrecht, L.; Le Donne, A.; Mocci, F.; Bodo, E.; Passerini, S.
Effect of Crystallite Size on the Flexibility and Negative Compressibility of Hydrophobic Metal–Organic Frameworks 2023 Johnson, Liam J. W.; Mirani, Diego; Le Donne, Andrea; Bartolomé, Luis; Amayuelas, Eder; López, Ga... espandibriel A.; Grancini, Giulia; Carter, Marcus; Yakovenko, Andrey A.; Trump, Benjamin A.; Meloni, Simone; Zajdel, Paweł; Grosu, Yaroslav
Effect of linker hybridization on the wetting of hydrophobic metal-organic frameworks 2025 Amayuelas, Eder; Sharma, Sandeep Kumar; Mor, Jaideep; Bartolomé, Luis; Johnson, Liam J. W.; Capor... espandiale, Davide; Le Donne, Andrea; Sigolo, Gianmarco; Scheller, Łukasz; Cristiglio, Viviana; Zajdel, Pawel; Meloni, Simone; Grosu, Yaroslav file con accesso da definire
Exploring the Heat of Water Intrusion into a Metal–Organic Framework by Experiment and Simulation 2024 Lowe, Alexander R.; Ślęczkowski, Piotr; Arkan, Emre; Le Donne, Andrea; Bartolomé, Luis; Amayuelas... espandi, Eder; Zajdel, Paweł; Chorążewski, Mirosław; Meloni, Simone; Grosu, Yaroslav
Hydrogen bonding as a clustering agent in protic ionic liquids: like-charge vs opposite-charge dimer formation 2018 Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico
Hydrogen bonding features in cholinium-based protic ionic liquids from molecular dynamics simulations 2018 Campetella, Marco; Le Donne, Andrea; Daniele, Maddalena; Gontrani, Lorenzo; Lupi, Stefano; Bodo, ... espandiEnrico; Leonelli, Francesca
Hydrogen bonding in biocompatible ionic liquids: an ab-initio characterization of dimeric interactions 2021 Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico file con accesso da definire
Hydrophobicity of molecular-scale textured surfaces: The case of zeolitic imidazolate frameworks, an atomistic perspective 2023 Le Donne, Andrea; Littlefair, Josh D.; Tortora, Marco; Merchiori, Sebastiano; Bartolomé, Luis; Gr... espandiosu, Yaroslav; Meloni, Simone
Intrusion and extrusion of liquids in highly confining media: bridging fundamental research to applications 2022 Le Donne, A.; Tinti, A.; Amayuelas, E.; Kashyap, H. K.; Camisasca, G.; Remsing, R. C.; Roth, R.; ... espandiGrosu, Y.; Meloni, S.
Isomerization patterns and proton transfer in ionic liquids constituents as probed by ab-initio computation 2018 Bodo, Enrico; Le Donne, Andrea
Mechanism of Water Intrusion into Flexible ZIF-8: Liquid Is Not Vapor 2023 Amayuelas, Eder; Tortora, Marco; Bartolomé, Luis; Littlefair, Josh David; Paulo, Gonçalo; Le Donn... espandie, Andrea; Trump, Benjamin; Yakovenko, Andrey Andreevich; Chorążewski, Mirosław; Giacomello, Alberto; Zajdel, Paweł; Meloni, Simone; Grosu, Yaroslav
Mild-Temperature Supercritical Water Confined in Hydrophobic Metal–Organic Frameworks 2024 Merchiori, Sebastiano; Le Donne, Andrea; Littlefair, Josh D.; Lowe, Alexander Rowland; Yu, Jiang-... espandiJing; Wu, Xu-Dong; Li, Mian; Li, Dan; Geppert-Rybczyńska, Monika; Scheller, Lukasz; Trump, Benjamin A.; Yakovenko, Andrey A.; Zajdel, Paweł; Chorążewski, Mirosław; Grosu, Yaroslav; Meloni, Simone
Optimization of the wetting-drying characteristics of hydrophobic metal organic frameworks via crystallite size: The role of hydrogen bonding between intruded and bulk liquid 2023 Johnson, Liam J. W.; Paulo, Gonçalo; Bartolomé, Luis; Amayuelas, Eder; Gubbiotti, Alberto; Mirani... espandi, Diego; Le Donne, Andrea; López, Gabriel A.; Grancini, Giulia; Zajdel, Paweł; Meloni, Simone; Giacomello, Alberto; Grosu, Yaroslav
Strong intramolecular hydrogen bonding in protonated β-methylaminoalanine: a vibrational spectroscopic and computational study 2019 Linford, Bryan D; Le Donne, Andrea; Scuderi, Debora; Bodo, Enrico; Fridgen, Travis D