Pubblicazioni

Simulations of Î³-Valerolactone Solvents and Electrolytes for Lithium Batteries Using Polarizable Molecular Dynamics

2025 - MOLECULES

Pierini, Adriano; Migliorati, Valentina; GÃ³mez-Urbano, Juan Luis; Balducci, Andrea; Brutti, Sergio; Bodo, Enrico

Structural Features of the ThymolâCarvacrol Equimolar Mixture: X-Ray Scattering and Molecular Dynamics

2025 - JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL

Mangiacapre, Emanuela; Lo Celso, Fabrizio; Triolo, Alessandro; Ramondo, Fabio; Irving, Daniel J. M.; Alhadid, Ahmad; Minceva, Mirjana; Russina, Olga

Different impact of menthol chirality on ideal and deep eutectic solvents: Thermal and structural insights

2025 - JOURNAL OF MOLECULAR LIQUIDS

Mannucci, Giorgia; Busato, Matteo; Pietropaoli, Eva; Palluzzi, Matteo; Casu, Paolo; Capocefalo, Angela; Fasolato, Claudia; Postorino, Paolo; D'Angelo, Paola

Sustainable aroma absorption: exploring the potentiality of a Î²-cyclodextrin and lactic acid supramolecular eutectic solvent

2025 - CARBOHYDRATE POLYMERS

Mangiacapre, Emanuela; Triolo, Alessandro; Kfoury, Miriana; Ruellan, Steven; Celso, Fabrizio Lo; Irving, Daniel J. M.; Fourmentin, Sophie; Russina, Olga

Structural Analysis of the SARS-CoV-2 Spike N-Terminal Domain Across Wild-Type and Recent Variants: A Comparative Study

2025 - PROTEINS

Quaranta, Miriana; Via, Allegra; Pascarella, Stefano

A Perspective on Computer Simulation of Liquid Electrolytes for Energy Storage

2025 - ACS ELECTROCHEMISTRY

Pierini, Adriano; Bodo, Enrico