Risultati ricerca pubblicazioni

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

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

Structural features of cholinium based protic ionic liquids through molecular dynamics

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

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

pubblicato su: JOURNAL OF MOLECULAR LIQUIDS - 2018
Bodo Enrico, Le Donne Andrea

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

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

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

pubblicato su: PHYSICAL CHEMISTRY CHEMICAL PHYSICS - 2019
Ramondo Fabio, Gontrani Lorenzo, Campetella Marco

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