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
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; Sara, Gómez; Egidi, Franco; Giovannini, Tommaso; Restrepo, Albeiro
Continuum vs. atomistic approaches to computational spectroscopy of solvated systems
2023 Giovannini, Tommaso; Cappelli, Chiara
Development of fully atomistic approaches to model response properties of complex systems
2019 Giovannini, Tommaso
Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures?
2022 Giovannini, T.; Bonatti, L.; Lafiosca, P.; Nicoli, L.; Castagnola, M.; Illobre, P. G.; Corni, S.; Cappelli, C.
E T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods
2020 Folkestad, S. D.; Kjonstad, E. F.; Myhre, R. H.; Andersen, J. H.; Balbi, A.; Coriani, S.; Giovannini, T.; Goletto, L.; Haugland, T. S.; Hutcheson, A.; Hoyvik, I. -M.; Moitra, T.; Paul, A. C.; Scavino, M.; Skeidsvoll, A. S.; Tveten, H.; Koch, H.