GIOVANNINI, Tommaso
GIOVANNINI, Tommaso
Classe di Scienze
A Classical Picture of Subnanometer Junctions: an Atomistic Drude Approach to Nanoplasmonics
2019 Giovannini, Tommaso; Rosa, Marta; Corni, Stefano; Cappelli, Chiara
A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution
2018 Egidi, Franco; Giovannini, Tommaso; Del Frate, Gianluca; Lemler, Paul M; Vaccaro, Patrick Henry; Cappelli, Chiara
A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches
2017 Giovannini, Tommaso; Lafiosca, Piero; Cappelli, Chiara
A polarizable embedding approach to second harmonic generation (SHG) of molecular systems in aqueous solutions
2018 Giovannini, Tommaso; Ambrosetti, Matteo; Cappelli, Chiara
A polarizable three-layer frozen density embedding/molecular mechanics approach
2021 Egidi, Franco; Angelico, Sara; Lafiosca, Piero; Giovannini, Tommaso; Cappelli, Chiara
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach
2022 Lafiosca, P.; Gomez, S.; Giovannini, T.; Cappelli, C.
Absorption spectra of xanthines in aqueous solution: A computational study
2020 Gomez, S.; Giovannini, T.; Cappelli, C.
Amide Spectral Fingerprints are Hydrogen Bonding-Mediated
2022 Gómez, Sara; Bottari, Cettina; Egidi, Franco; Giovannini, Tommaso; Rossi, Barbara; Cappelli, Chiara
An Effective Fully Polarizable QM/MM Approach to Model Vibrational Circular Dichroism Spectra of Systems in Aqueous Solutions
2016 Giovannini, Tommaso; Olszowka, Marta; Cappelli, Chiara
An efficient and robust procedure to calculate absorption spectra of aqueous charged species applied to NO2−
2021 Uribe, L.; Gomez, S.; Giovannini, T.; Egidi, F.; Restrepo, A.
Assessing the quality of QM/MM approaches to describe vacuo-to-water solvatochromic shifts
2022 Nicoli, Luca; Giovannini, Tommaso; Cappelli, Chiara
Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles
2019 Giovannini, T.; Grazioli, Laura; Ambrosetti, M.; Cappelli, C.
Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects
2020 Marrazzini, Gioia; Giovannini, Tommaso; Egidi, Franco; Cappelli, Chiara
Can the Resonance Raman Optical Activity Spectrum Display Sign Alternation?
2016 Vidal, Luciano N; Giovannini, Tommaso; Cappelli, Chiara
Close-Up Look at Electronic Spectroscopic Signatures of Common Pharmaceuticals in Solution
2024 Gómez, Sara; Ambrosetti, Matteo; Giovannini, Tommaso; Cappelli, Chiara
Combining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions
2021 Goletto, L.; Giovannini, T.; Folkestad, S. D.; Koch, H.
Computational hints for the simultaneous spectroscopic detection of common contaminants in water
2022 Uribe, Lina; Gómez, Sara; Egidi, Franco; Giovannini, Tommaso; Restrepo, Albeiro
Computational Insights into the Adsorption of Ligands on Gold Nanosurfaces
2023 Sodomaco, Sveva; Gomez Maya, Sara Luz; Giovannini, Tommaso; Cappelli, Chiara
Continuum vs. atomistic approaches to computational spectroscopy of solvated systems
2023 Giovannini, Tommaso; Cappelli, Chiara
Correction to “Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures”
2023 Lafiosca, Piero; Giovannini, Tommaso; Benzi, Michele; Cappelli, Chiara