Sfoglia per Autore
Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman
2022 Gomez, S.; Rojas-Valencia, N.; Giovannini, T.; Restrepo, A.; Cappelli, C.
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach
2022 Lafiosca, P.; Gomez, S.; Giovannini, T.; Cappelli, C.
Computational hints for the simultaneous spectroscopic detection of common contaminants in water
2022 Uribe, Lina; Gómez, Sara; Egidi, Franco; Giovannini, Tommaso; Restrepo, Albeiro
Linear response properties of solvated systems: a computational study
2022 Goletto, Linda; Gomez, Sara; Andersen, Josefine H.; Koch, Henrik; Giovannini, Tommaso
Amide Spectral Fingerprints are Hydrogen Bonding-Mediated
2022 Gómez, Sara; Bottari, Cettina; Egidi, Franco; Giovannini, Tommaso; Rossi, Barbara; Cappelli, Chiara
In silico design of graphene plasmonic hot-spots
2022 Bonatti, Luca; Nicoli, Luca; Giovannini, Tommaso; Cappelli, Chiara
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.
Fragment Localized Molecular Orbitals
2022 Giovannini, Tommaso; Koch, Henrik
Correction to “Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures”
2023 Lafiosca, Piero; Giovannini, Tommaso; Benzi, Michele; Cappelli, Chiara
Water maintains the UV-vis spectral features during the insertion of anionic Naproxen and Ibuprofen into model cell membranes
2023 Rojas-Valencia, Natalia; Gómez, Sara; Giovannini, Tommaso; Cappelli, Chiara; Restrepo, Albeiro; Núñez Zarur, Francisco
Strong Coupling in Chiral Cavities: Nonperturbative Framework for Enantiomer Discrimination
2023 Riso, Rosario R.; Grazioli, Laura; Ronca, Enrico; Giovannini, Tommaso; Koch, Henrik
QM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models
2023 Lafiosca, Piero; Nicoli, Luca; Bonatti, Luca; Giovannini, Tommaso; Corni, Stefano; Cappelli, Chiara
Fully Atomistic Modeling of Plasmonic Bimetallic Nanoparticles: Nanoalloys and Core-Shell Systems
2023 Nicoli, Luca; Lafiosca, Piero; Grobas Illobre, Pablo; Bonatti, Luca; Giovannini, Tommaso; Cappelli, Chiara
Continuum vs. atomistic approaches to computational spectroscopy of solvated systems
2023 Giovannini, Tommaso; Cappelli, Chiara
UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA
2023 Gómez, Sara; Lafiosca, Piero; Egidi, Franco; Giovannini, Tommaso; Cappelli, Chiara
Multiscale frozen density embedding/molecular mechanics approach for simulating magnetic response properties of solvated systems
2023 Lafiosca, Piero; Rossi, Federico; Egidi, Franco; Giovannini, Tommaso; Cappelli, Chiara
Mixed quantum/classical approach to surface-enhanced spectroscopies
2023 Giovannini, Tommaso; Cappelli, Chiara
Strain-Induced Plasmon Confinement in Polycrystalline Graphene
2023 Zanotto, Simone; Bonatti, Luca; Pantano, Maria F; Mišeikis, Vaidotas; Speranza, Giorgio; Giovannini, Tommaso; Coletti, Camilla; Cappelli, Chiara; Tredicucci, Alessandro; Toncelli, Alessandra
Computational Insights into the Adsorption of Ligands on Gold Nanosurfaces
2023 Sodomaco, Sveva; Gomez Maya, Sara Luz; Giovannini, Tommaso; Cappelli, Chiara
Towards a cost-effective modeling of fluorescence in the condensed phase
2023 Skoko, S; Micheletti, C; Grifoni, E; Egidi, F; Giovannini, T; Pucci, A; Cappelli, C
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