Short CV/Education and training

  •  
    PhD in Chemistry, Scuola Normale Superiore (IT), with full marks and honours

  •  
    Degree in Chemistry, University of Pisa (IT), with full marks and honours

Selected publications

  • S. Gomez, N. Rojas-Valencia, T. Giovannini, A. Restrepo, C. Cappelli, “Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman“, Molecules 2022, DOI: 10.3390/molecules27020442 .

  • S. Gomez, F. Egidi, A. Puglisi, T. Giovannini, B. Rossi, C. Cappelli, “Unlocking the Power of Resonance Raman Spectroscopy: the Case of Amides in Aqueous Solution“, J. Mol. Liq. 2021, DOI: 10.1016/j.molliq.2021.117841.

  • 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.

  • M. Abrosetti, S. Skoko, T. Giovannini, C. Cappelli, “Quantum Mechanics/Fluctuating Charge Protocol to Compute Solvatochromic Shifts“, J. Chem. Theory Comput. 2021, DOI: 10.1021/acs.jctc.1c00763.

  • S. A. Gomez, N. Rojas-Valencia, S. Gomez, C. Cappelli, A. Restrepo “The role of spike protein mutations in the infectious power of SARS–COV–2 variants: A molecular interaction perspective”, ChemBioChem. 2021, DOI: 10.1002/cbic.202100393.

  • N. Rojas-Valencia, S. Gomez, F. Nunez-Zarur, C. Cappelli, C.Hadad, A. Restrepo “Thermodynamics and intermolecular interactions during the insertion of anionic Naproxen into model cell membranes” J. Phys. Chem. B. 2021, DOI: 10.1021/acs.jpcb.1c06766.

  • S. Gomez, N. Rojas-Valencia, S. A. Gomez, C. Cappelli, G. Merino, A. Restrepo “A molecular twist on hydrophobicity” Chem. Sci. 2021, DOI:10.1039/D1SC02673A.

  • 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.

  • M. Paolino, T. Giovannini, M. Manathunga, L. Latterini, G. Zampini, R. Pierron, J. Léonard, S. Fusi, G. Giorgi, G. Giuliani, A. Cappelli, C. Cappelli, M. Olivucci “On the Transition from a Biomimetic Molecular Switch to a Rotary Molecular Motor”, J. Phys. Chem Lett. 2021, DOI: 10.1021/acs.jpclett.1c00526.

  • G. Marrazzini, T. Giovannini, M. Scavino, F. Egidi, C. Cappelli, H. Koch “Multilevel Density Functional Theory”, J. Chem. Theory Comput. 2020, DOI: 10.1021/acs.jctc.0c00940.



Complete list of publications

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