Publications

  1. 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 Phtonics 2022, DOI: 10.1021/acsphotonics.2c00761.
  2.  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 .
  3. 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.
  4. L. Bonatti, L. Nicoli, T. Giovannini, C. Cappelli, “In-silico design of graphene plasmonic hot-spots”, Nanoscale Adv. 2022, DOI: 10.1039/D2NA00088A.
  5. 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.
  6. 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.
  7. F. Egidi, S. Angelico, P. Lafiosca, T. GiovanniniC. Cappelli “A polarizable three-layer frozen density embedding/molecular mechanics approach“, J. Chem. Phys. 2021, DOI: 10.1063/5.0045574.
  8. T. Giovannini, L. Bonatti, M. Polini, C. CappelliGraphene Plasmonics: Fully Atomistic Approach for Realistic Structures“, J. Phys. Chem. Lett. 2020, DOI: 10.1021/acs.jpclett.0c02051.
  9. T. Giovannini, F. Egidi, C. Cappelli “Molecular Spectroscopy of Aqueous Solutions: a Theoretical Perspective”, Chem. Soc. Rev. 2020, DOI: 10.1039/C9CS00464E.
  10. 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.