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Author

G. Raffaini

2 papers indexed here

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Open access Oct 2026

Inclusion Complexes Between α-Cyclodextrins and Xenon: Molecular Dynamics Simulations and Experimental Study

Xenon (Xe) is an inert noble gas receiving increasing attention in medical research due to its anesthetic properties, ability to regulate metabolic processes, and broad organoprotective effects. Due to its small size and non-covalent intermolecular interactions, Xe can be encapsulated within α-cyclodextrin (α-CD). In t...

Francesco Trotta, E. Ben Khalifa, F. Caldera et al. · 0 citations
Review Open access Sep 2026

From GROMACS Molecular Dynamics Simulations to Electronic Absorption Spectra: A Tutorial for Small Molecules in Organic Solvents

Classical molecular dynamics is a theoretical method useful for investigating noncovalent intermolecular interactions and conformational flexibility, enabling the simulation of processes such as aggregation/dissolution and adsorption. Molecular dynamics and quantum chemistry are increasingly introduced in chemistry c...

C. Picarelli, G. Raffaini, M. Tommasini · 0 citations

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