Journal publications

• Bonatti, Luca; Gil, Gabriel; Giovannini, Tommaso; Corni, Stefano; Cappelli, Chiara. (2020) Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches. Frontiers in Chemistry. vol. 8.
• Folkestad, Sarai Dery; Kjønstad, Eirik Fadum; Myhre, Rolf Heilemann; Andersen, Josefine; Balbi, Alice; Coriani, Sonia; Giovannini, Tommaso; Goletto, Linda; Haugland, Tor Strømsem; Hutcheson, Anders; Høyvik, Ida-Marie; Moitra, Torsha; Paul, Alexander Christian; Scavino, Marco; Skeidsvoll, Andreas Sæther; Tveten, Åsmund; Koch, Henrik. (2020) eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods. Journal of Chemical Physics. vol. 152 (18).
• Giovannini, Tommaso; Bonatti, Luca; Polini, Marco; Cappelli, Chiara. (2020) Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures. The Journal of Physical Chemistry Letters. vol. 11 (18).
• Giovannini, Tommaso; Egidi, Franco; Cappelli, Chiara. (2020) Theory and algorithms for chiroptical properties and spectroscopies of aqueous systems. Physical Chemistry, Chemical Physics - PCCP. vol. 22 (40).
• Giovannini, Tommaso; Koch, Henrik. (2020) Energy-Based Molecular Orbital Localization in a Specific Spatial Region. Journal of Chemical Theory and Computation. vol. 17 (1).
• Gomez, Sara; Giovannini, Tommaso; Cappelli, Chiara. (2020) Absorption spectra of xanthines in aqueous solution: a computational study. Physical Chemistry, Chemical Physics - PCCP. vol. 22.
• Marrazzini, Gioia; Giovannini, Tommaso; Egidi, Franco; Cappelli, Chiara. (2020) Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects. Journal of Chemical Theory and Computation. vol. 16 (11).
• Skoko, Sulejman; Ambrosetti, Matteo; Giovannini, Tommaso; Cappelli, Chiara. (2020) Simulating absorption spectra of flavonoids in aqueous solution: A polarizable QM/MM study. Molecules. vol. 25 (24).
• Di Remigio, Roberto; Giovannini, Tommaso; Ambrosetti, Matteo; Cappelli, Chiara; Frediani, Luca. (2019) Fully polarizable QM/fluctuating charge approach to two-photon absorption of aqueous solutions. Journal of Chemical Theory and Computation. vol. 15 (7).
• Giovannini, Tommaso; Ambrosetti, Matteo; Cappelli, Chiara. (2019) Quantum Confinement Effects on Solvatochromic Shifts of Molecular Solutes. The Journal of Physical Chemistry Letters. vol. 10.
• Giovannini, Tommaso; Grazioli, Laura; Ambrosetti, Matteo; Cappelli, Chiara. (2019) Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles. Journal of Chemical Theory and Computation. vol. 15.
• Giovannini, Tommaso; Riso, Rosario Roberto; Ambrosetti, Matteo; Puglisi, Alessandra; Cappelli, Chiara. (2019) Electronic transitions for a fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles: Linear and corrected linear response regimes. Journal of Chemical Physics. vol. 151 (17).