GIOVANNINI, TOMMASO
GIOVANNINI, TOMMASO
Classe di Scienze
A Classical Picture of Subnanometer Junctions: an Atomistic Drude Approach to Nanoplasmonics
2019-01-01 Giovannini, Tommaso; Rosa, Marta; Corni, Stefano; Cappelli, Chiara
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach
2022-01-01 Lafiosca, P.; Gomez, S.; Giovannini, T.; Cappelli, C.
Absorption spectra of xanthines in aqueous solution: A computational study
2020-01-01 Gomez, S.; Giovannini, T.; Cappelli, C.
Amide Spectral Fingerprints are Hydrogen Bonding-Mediated
2022-01-01 Gómez, Sara; Bottari, Cettina; Egidi, Franco; Giovannini, Tommaso; Rossi, Barbara; Cappelli, Chiara
Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles
2019-01-01 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
2020-01-01 Marrazzini, Gioia; Giovannini, Tommaso; Egidi, Franco; Cappelli, Chiara
Can the Resonance Raman Optical Activity Spectrum Display Sign Alternation?
2016-01-01 Vidal, Luciano N; Giovannini, Tommaso; Cappelli, Chiara
A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution
2018-01-01 Egidi, Franco; Giovannini, Tommaso; Del Frate, Gianluca; Lemler, Paul M; Vaccaro, Patrick Henry; Cappelli, Chiara
Combining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions
2021-01-01 Goletto, L.; Giovannini, T.; Folkestad, S. D.; Koch, H.
Computational hints for the simultaneous spectroscopic detection of common contaminants in water
2022-01-01 Uribe, Lina; Sara, Gómez; Egidi, Franco; Giovannini, Tommaso; Restrepo, Albeiro
Development of fully atomistic approaches to model response properties of complex systems
2019-01-25 Giovannini, Tommaso
Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures?
2022-01-01 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
2020-01-01 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.
Effective Computational Route to Vibrational Optical Activity Spectra of Chiral Molecules in Aqueous Solution
2018-01-01 Giovannini, Tommaso; Del Frate, Gianluca; Lafiosca, Piero; Cappelli, Chiara
An Effective Fully Polarizable QM/MM Approach to Model Vibrational Circular Dichroism Spectra of Systems in Aqueous Solutions
2016-01-01 Giovannini, Tommaso; Olszowka, Marta; Cappelli, Chiara
Effective yet Reliable Computation of EPR Spectra in Solution by a QM/MM Approach: Interplay between Electrostatics and Non-electrostatic Effects
2019-03-25 Cappelli, Chiara; Chandramouli, Balasubramanian; Giovannini, Tommaso; Lafiosca, Piero; Barone, Vincenzo
Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects
2019-01-01 Giovannini, Tommaso; Lafiosca, Piero; Chandramouli, Balasubramanian; Barone, Vincenzo; Cappelli, Chiara
An efficient and robust procedure to calculate absorption spectra of aqueous charged species applied to NO2−
2021-01-01 Uribe, L.; Gomez, S.; Giovannini, T.; Egidi, F.; Restrepo, A.
Electronic transitions for a fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles: Linear and corrected linear response regimes
2019-01-01 Giovannini, Tommaso; Riso, Rosario Roberto; Ambrosetti, Matteo; Puglisi, Alessandra; Cappelli, Chiara
Energy-Based Molecular Orbital Localization in a Specific Spatial Region
2020-01-01 Giovannini, Tommaso; Koch, Henrik