RAMPINO, SERGIO
RAMPINO, SERGIO
Dipartimento di Scienze Chimiche - DiSC
PES‐trotter: A Cross‐Platform Open‐Source Application for the Analysis of Molecular Processes on 3D Potential‐Energy Landscapes
2026 Privat, Erwan; Rawat, Ajay Mohan Singh; Ballotta, Bernardo; Polimeno, Antonino; Rampino, Sergio
Predicting NMR Relaxation Using a First-Principles Brownian Dynamics Approach
2026 Zerbetto, Mirco; Rampino, Sergio; Polimeno, Antonino
Predictive and Generative AI Approaches to the Design of Deep Eutectic Solvents
2026 Liviero, Luna; Leclercq, Philipp; Privat, Erwan; Rampino, Sergio; Polimeno, Antonino
Data-Driven Analysis of Fluorescence Lifetime Imaging Experiments: Unraveling the Signal/Stress Relationship of Polluted Microalgae Cells with Machine Learning
2025 Privat, Erwan; Fortunati, Ilaria; Ferrante, Camilla; Rampino, Sergio; Polimeno, Antonino
Molecular dynamics of space-confined water inside Span 80 reverse micelles with an all-atom and coarse-grained solvent
2025 Piserchia, Andrea; Rampino, Sergio; Zerbetto, Mirco; Tajoli, Francesca; Gross, Silvia; Polimeno, Antonino
Competition between Abstraction and Addition Channels for the Reaction between the OH Radical and Vinyl Alcohol in the Interstellar Medium
2023 Ballotta, B.; Martinez-Nunez, E.; Rampino, S.; Barone, V.
New prebiotic molecules in the interstellar medium from the reaction between vinyl alcohol and CN radicals: unsupervised reaction mechanism discovery, accurate electronic structure calculations and kinetic simulations
2023 Ballotta, B.; Martinez-Nunez, E.; Rampino, S.; Barone, V.
The roto-conformational diffusion tensor as a tool to interpret molecular flexibility
2023 Rampino, Sergio; Zerbetto, Mirco; Polimeno, Antonino
Toward the Detection of Cyanoketene in the Interstellar Medium: New Hints from Quantum Chemistry and Rotational Spectroscopy
2023 Ballotta, B.; Marforio, T. D.; Rampino, S.; Martinez-Nunez, E.; Barone, V.; Melosso, M.; Bottoni, A.; Dore, L.
Local charge-displacement analysis: Targeting local charge-flows in complex intermolecular interactions
2022 Nottoli, G.; Ballotta, B.; Rampino, S.
Charge-flow profiles along curvilinear paths: A flexible scheme for the analysis of charge displacement upon intermolecular interactions
2021 Sagresti, L.; Rampino, S.
Gas-Phase Formation and Isomerization Reactions of Cyanoacetaldehyde, a Prebiotic Molecule of Astrochemical Interest
2021 Ballotta, B.; Nandi, S.; Barone, V.; Rampino, S.
A general user-friendly tool for kinetic calculations of multi-step reactions within the virtual multifrequency spectrometer project
2020 Nandi, S.; Ballotta, B.; Rampino, S.; Barone, V.
Chemical bonding in cuprous complexes with simple nitriles: Octet rule and resonance concepts: Versus quantitative charge-redistribution analysis
2020 Potenti, S.; Paoloni, L.; Nandi, S.; Fuse, M.; Barone, V.; Rampino, S.
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality
2020 Martino, M.; Salvadori, A.; Lazzari, F.; Paoloni, L.; Nandi, S.; Mancini, G.; Barone, V.; Rampino, S.
Ferrocenes with simple chiral substituents: An in-depth theoretical and experimental VCD and ECD study
2019 Patti, A.; Pedotti, S.; Mazzeo, G.; Longhi, G.; Abbate, S.; Paoloni, L.; Bloino, J.; Rampino, S.; Barone, V.
Potential-Energy Surfaces for Ring-Puckering Motions of Flexible Cyclic Molecules through Cremer-Pople Coordinates: Computation, Analysis, and Fitting
2019 Paoloni, L.; Rampino, S.; Barone, V.
The Chemical Bond and s-d Hybridization in Coinage Metal(I) Cyanides
2019 De Santis, M.; Rampino, S.; Storchi, L.; Belpassi, L.; Tarantelli, F.
Charge-displacement analysis via natural orbitals for chemical valence in the four-component relativistic framework
2018 De Santis, M.; Rampino, S.; Quiney, H. M.; Belpassi, L.; Storchi, L.
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality
2018 Salvadori, A.; Fuse, M.; Mancini, G.; Rampino, S.; Barone, V.