Pubblicazioni

Binary Mixtures of Choline Acetate and Tetrabutylammonium Acetate with Natural Organic Acids by Vibrational Spectroscopy and Molecular Dynamics Simulations

2024 - JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Di Muzio, Simone; Palumbo, Oriele; Trequattrini, Francesco; Paolone, Annalisa

Solvation of Model Biomolecules in Choline-Aminoate Ionic Liquids: A Computational Simulation Using Polarizable Force Fields

2024 - MOLECULES
Russo, Stefano; Bodo, Enrico

Applying Computational Spectroscopy Methods to Raman Spectra of Dicationic, Imidazolium-Based, Ionic Liquids

2024 - JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Farina, Matteo; Rondino, Flaminia; Lapi, Andrea; Falconieri, Mauro; Gagliardi, Serena; Daidone, Isabella; Fraschetti, Caterina; Bodo, Enrico; Filippi, Antonello

Unraveling the Ag+ ion coordination and solvation thermodynamics in the 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid

2023 - JOURNAL OF MOLECULAR LIQUIDS
Busato, M; D'Angelo, P; Lapi, A; Tavani, F; Veclani, D; Tolazzi, M; Melchior, A

Evolution of the La(III) ion coordination sphere in ethylammonium nitrate solution upon water addition

2023 - JOURNAL OF MOLECULAR LIQUIDS
Sessa, F; Busato, M; Meneghini, C; Migliorati, V; Lapi, A; D'Angelo, P

Theoretical-Computational Modeling of Gas-State Thermodynamics in Flexible Molecular Systems: Ionic Liquids in the Gas Phase as a Case Study

2022 - MOLECULES
Amadei, Andrea; Ciccioli, Andrea; Filippi, Antonello; Fraschetti, Caterina; Aschi, Massimiliano

Ab initio molecular dynamics study of phospho-amino acid-based ionic liquids: formation of zwitterionic anions in the presence of acidic side chains

2020 - JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Adenusi, Henry; Le Donne, Andrea; Porcelli, Francesco; Bodo, Enrico

Coupled hydroxyl and ether functionalisation in EAN derivatives: the effect of hydrogen bond donor/acceptor groups on the structural heterogeneity studied with X-Ray diffractions and fixed charge/polarizable simulations

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Ramondo, Fabio; Gontrani, Lorenzo; Campetella, Marco

Structural features of cholinium based protic ionic liquids through molecular dynamics

2019 - JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Le Donne, A.; Adenusi, H.; Porcelli, F.; Bodo, E.

Statistic-Driven Proton Transfer Affecting Nanoscopic Organization in an Ethylammonium Nitrate Ionic Liquid and 1,4-Diaminobutane Binary Mixture: A Steamy Pizza Model

2019 - SYMMETRY
Mariani, Alessandro; Bonomo, Matteo; Passerini, Stefano

Isomerization patterns and proton transfer in ionic liquids constituents as probed by ab-initio computation

2018 - JOURNAL OF MOLECULAR LIQUIDS
Bodo, Enrico; Le Donne, Andrea

Influence of counterions on the hydration structure of Lanthanide ions in dilute aqueous solutions

2018 - JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Migliorati, Valentina; Serva, Alessandra; Sessa, Francesco; Lapi, Andrea; D'Angelo, Paola

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