Here you can find the updated list of all the publications of CSGI members and affilated staff. Please note that the only publications listed here are those published after the affilation of each member. If you are interested in the whole bibliography of CSGI members, including articles and books published before affilation to CSGI, please refer to academic research databases, such as Scopus, Web Of Science, Google Scholar, ect.
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Strong Coupling in Chiral Cavities: Nonperturbative Framework for Enantiomer Discrimination
- Riso R.R. - Grazioli L. - Ronca E. - Tommaso Giovannini - Henrik KochQM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models
- Lafiosca P. - Nicoli L. - Bonatti L. - Tommaso Giovannini - Corni S. - Chiara CappelliContinuum vs. atomistic approaches to computational spectroscopy of solvated systems
- Tommaso Giovannini - Chiara CappelliErratum: Going beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures (The Journal of Physical Chemistry C (2021) 125:43 (23848-23863) DOI: 10.1021/acs.jpcc.1c04716)
- Lafiosca P. - Tommaso Giovannini - Benzi M. - Chiara CappelliTowards a cost-effective modeling of fluorescence in the condensed phase
- Skoko S. - Micheletti C. - Grifoni E. - Franco Egidi - Tommaso Giovannini - Pucci A. - Chiara CappelliMultiple Facets of Modeling Electronic Absorption Spectra of Systems in Solution
- Gómez S. - Tommaso Giovannini - Chiara CappelliWater Maintains the UV-Vis Spectral Features During the Insertion of Anionic Naproxen and Ibuprofen into Model Cell Membranes
- Rojas-Valencia N. - Gómez S. - Tommaso Giovannini - Chiara Cappelli - Restrepo A. - Núñez−Zarur F.Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems
- Tommaso Giovannini - Marrazzini G. - Scavino M. - Henrik Koch - Chiara CappelliUV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA
- Gómez S. - Lafiosca P. - Franco Egidi - Tommaso Giovannini - Chiara CappelliStrain-Induced Plasmon Confinement in Polycrystalline Graphene
- Zanotto S. - Bonatti L. - Pantano M.F. - Mišeikis V. - Speranza G. - Tommaso Giovannini - Coletti C. - Chiara Cappelli - Tredicucci A. - Toncelli A.Assessing the quality of QM/MM approaches to describe vacuo-to-water solvatochromic shifts
- Nicoli L. - Tommaso Giovannini - Chiara CappelliLinear response properties of solvated systems: a computational study
- Goletto L. - Gómez S. - Andersen J.H. - Henrik Koch - Tommaso GiovanniniDo We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures?
- Tommaso Giovannini - Bonatti L. - Lafiosca P. - Nicoli L. - Castagnola M. - Illobre P.G. - Corni S. - Chiara CappelliFragment Localized Molecular Orbitals
- Tommaso Giovannini - Henrik KochAmide Spectral Fingerprints are Hydrogen Bonding-Mediated
- Gómez S. - Bottari C. - Franco Egidi - Tommaso Giovannini - Rossi B. - Chiara CappelliIn silico design of graphene plasmonic hot-spots
- Bonatti L. - Nicoli L. - Tommaso Giovannini - Chiara CappelliComputational hints for the simultaneous spectroscopic detection of common contaminants in water
- Uribe L. - Gómez S. - Franco Egidi - Tommaso Giovannini - Restrepo A.Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman
- Gómez S. - Rojas-Valencia N. - Tommaso Giovannini - Restrepo A. - Chiara CappelliAbsorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach
- Lafiosca P. - Gómez S. - Tommaso Giovannini - Chiara CappelliQuantum Mechanics/Fluctuating Charge Protocol to Compute Solvatochromic Shifts
- Ambrosetti M. - Skoko S. - Tommaso Giovannini - Chiara CappelliGoing beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures
- Lafiosca P. - Tommaso Giovannini - Benzi M. - Chiara CappelliUnlocking the power of resonance Raman spectroscopy: The case of amides in aqueous solution
- Gómez S. - Franco Egidi - Puglisi A. - Tommaso Giovannini - Rossi B. - Chiara CappelliOn the Transition from a Biomimetic Molecular Switch to a Rotary Molecular Motor
- Paolino M. - Tommaso Giovannini - Manathunga M. - Loredana Latterini - Zampini G. - Pierron R. - Léonard J. - Fusi S. - Giorgi G. - Giuliani G. - Cappelli A. - Chiara Cappelli - Olivucci M. An efficient and robust procedure to calculate absorption spectra of aqueous charged species applied to NO
Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory
- Fregoni J. - Haugland T.S. - Pipolo S. - Tommaso Giovannini - Henrik Koch - Corni S.A polarizable three-layer frozen density embedding/molecular mechanics approach
- Franco Egidi - Angelico S. - Lafiosca P. - Tommaso Giovannini - Chiara CappelliEnergy-Based Molecular Orbital Localization in a Specific Spatial Region
- Tommaso Giovannini - Henrik KochMultilevel Density Functional Theory
- Marrazzini G. - Tommaso Giovannini - Scavino M. - Franco Egidi - Chiara Cappelli - Henrik KochCombining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions
- Goletto L. - Tommaso Giovannini - Folkestad S.D. - Henrik KochAbsorption spectra of xanthines in aqueous solution: A computational study
- Gómez S. - Tommaso Giovannini - Chiara CappelliPlasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches
- Bonatti L. - Gil G. - Tommaso Giovannini - Corni S. - Chiara CappelliMolecular spectroscopy of aqueous solutions: A theoretical perspective
- Tommaso Giovannini - Franco Egidi - Chiara CappelliGraphene Plasmonics: Fully Atomistic Approach for Realistic Structures
- Tommaso Giovannini - Bonatti L. - Polini M. - Chiara CappelliTheory and algorithms for chiroptical properties and spectroscopies of aqueous systems
- Tommaso Giovannini - Franco Egidi - Chiara CappelliCalculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects
- Marrazzini G. - Tommaso Giovannini - Franco Egidi - Chiara CappelliSimulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study
- Skoko S. - Ambrosetti M. - Tommaso Giovannini - Chiara CappelliE T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods
- Folkestad S.D. - Kjønstad E.F. - Myhre R.H. - Andersen J.H. - Balbi A. - Coriani S. - Tommaso Giovannini - Goletto L. - Haugland T.S. - Hutcheson A. - Høyvik I.M. - Moitra T. - Paul A.C. - Scavino M. - Skeidsvoll A.S. - Tveten S.H. - Henrik KochA combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution
- Franco Egidi - Tommaso Giovannini - Del Frate G. - Lemler P.M. - Vaccaro P.H. - Chiara CappelliA classical picture of subnanometer junctions: an atomistic Drude approach to nanoplasmonics
- Tommaso Giovannini - Rosa M. - Corni S. - Chiara CappelliInterplay between conformational and solvent effects in UV-visible absorption spectra: Curcumin tautomers as a case study
- Puglisi A. - Tommaso Giovannini - Antonov L. - Chiara CappelliSimulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling
- Tommaso Giovannini - Macchiagodena M. - Ambrosetti M. - Puglisi A. - Lafiosca P. - Lo Gerfo G. - Franco Egidi - Chiara CappelliEffective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects
- Tommaso Giovannini - Lafiosca P. - Chandramouli B. - Vincenzo Barone - Chiara CappelliPolarizable QM/MM Approach with Fluctuating Charges and Fluctuating Dipoles: The QM/FQFμ Model
- Tommaso Giovannini - Puglisi A. - Ambrosetti M. - Chiara CappelliFully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
- Di Remigio R. - Tommaso Giovannini - Ambrosetti M. - Chiara Cappelli - Frediani L.Quantum Confinement Effects on Solvatochromic Shifts of Molecular Solutes
- Tommaso Giovannini - Ambrosetti M. - Chiara CappelliCalculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles
- Tommaso Giovannini - Grazioli L. - Ambrosetti M. - Chiara CappelliElectronic transitions for a fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles: Linear and corrected linear response regimes
- Tommaso Giovannini - Riso R.R. - Ambrosetti M. - Puglisi A. - Chiara CappelliEffective computational route towards vibrational optical activity spectra of chiral molecules in aqueous solution
- Tommaso Giovannini - Del Frate G. - Lafiosca P. - Chiara CappelliEvaluation of Hyperpolarizability from the Solvatochromic Method: Thiophene Containing Push-Pull Cationic Dyes as a Case Study
- Carlotti B. - Cesaretti A. - Cannelli O. - Tommaso Giovannini - Chiara Cappelli - Bonaccorso C. - Fortuna C.G. - Elisei F. - Spalletti A.A polarizable embedding approach to second harmonic generation (SHG) of molecular systems in aqueous solutions
- Tommaso Giovannini - Ambrosetti M. - Chiara Cappelli