- S. Gomez, T. Giovannini, C. Cappelli, “Multiple Facts of Modeling Electronic Absorption Spectra of Systems in Solution”, ACS Phys. Chem. Au 2022, DOI: 10.1021/acsphyschemau.2c00050.
- T. Giovannini, L. Bonatti, P. Lafiosca, L. Nicoli, M. Castagnola, P. Grobas Illobre, S. Corni, C. Cappelli, “Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures?”, ACS Photonics 2022, DOI: 10.1021/acsphotonics.2c00761.
- S. Gomez, C. Bottari, F. Egidi, T. Giovannini, B. Rossi, C. Cappelli, “Amide Spectral Fingerprints are Hydrogen Bonding-Mediated”, J. Phys. Chem. Lett 2022, DOI: 10.1021/acs.jpclett.2c01277 .
- P. Lafiosca, S. Gomez, T. Giovannini, C. Cappelli, “Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach“, J. Chem. Theory Comput. 2022, DOI: 10.1021/acs.jctc.1c01066.
- L. Bonatti, L. Nicoli, T. Giovannini, C. Cappelli, “In-silico design of graphene plasmonic hot-spots”, Nanoscale Adv. 2022, DOI: 10.1039/D2NA00088A.
- P. Lafiosca, T. Giovannini, M. Benzi, C. Cappelli, “Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures”, J. Phys. Chem. C. 2021, DOI: 10.1021/acs.jpcc.1c04716.
- Matteo Ambrosetti, Sulejman Skoko, Tommaso Giovannini, Chiara Cappelli “Quantum Mechanics/Fluctuating Charge Protocol to Compute Solvatochromic Shifts“, J. Chem. Theory Comput. 2021, DOI: 10.1021/acs.jctc.1c00763.
- F. Egidi, S. Angelico, P. Lafiosca, T. Giovannini, C. Cappelli “A polarizable three-layer frozen density embedding/molecular mechanics approach“, J. Chem. Phys. 2021, DOI: 10.1063/5.0045574.
- T. Giovannini, L. Bonatti, M. Polini, C. Cappelli “Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures“, J. Phys. Chem. Lett. 2020, DOI: 10.1021/acs.jpclett.0c02051.
- T. Giovannini, F. Egidi, C. Cappelli “Molecular Spectroscopy of Aqueous Solutions: a Theoretical Perspective”, Chem. Soc. Rev. 2020, DOI: 10.1039/C9CS00464E.
- L. Bonatti, G. Gil, T. Giovannini, S. Corni, C. Cappelli “Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches”, Front. Chem. 2020, DOI: 10.3389/fchem.2020.00340.