LE DONNE, ANDREA
LE DONNE, ANDREA
DIPARTIMENTO DI CHIMICA
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
Assessing the Propensity Toward Ionization in Nanosized Clusters of Protic Ionic Liquids by Ab-initio Methods
2022 Le Donne, Andrea; Russo, Stefano; Bodo, Enrico
Chapter 1 - 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.
Cholinium amino acid-based ionic liquids
2021 Le Donne, Andrea; Bodo, Enrico
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
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, Enrico; 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
Intrusion and extrusion of liquids in highly confining media: bridging fundamental research to applications
2022 Le Donne, Andrea; Tinti, Antonio; Amayuelas, Eder; Kashyap, Hemant K.; Camisasca, Gaia; Remsing, Richard C.; Roth, Roland; Grosu, Yaroslav; Meloni, Simone
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; Bartolom('(e)), Luis; David Littlefair, Josh; Paulo, Gon(c(c))alo; LE DONNE, Andrea; Trump, Benjamin; Andreevich Yakovenko, Andrey; (z))ewski, Miros(l)aw Chor(k(a))(.; Giacomello, Alberto; Zajdel, Pawe(l); Meloni, Simone; 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
Structural features of cholinium based protic ionic liquids through molecular dynamics
2019 Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico