Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures

由 Giovannini, Tommaso, Bonatti, Luca, Polini, Marco, Cappelli, Chiara
發表在 J Phys Chem Lett (2020)

Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study

由 Skoko, Sulejman, Ambrosetti, Matteo, Giovannini, Tommaso, Cappelli, Chiara
發表在 Molecules (2020)

Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects

由 Marrazzini, Gioia, Giovannini, Tommaso, Egidi, Franco, Cappelli, Chiara
發表在 J Chem Theory Comput (2020)

Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches

由 Bonatti, Luca, Gil, Gabriel, Giovannini, Tommaso, Corni, Stefano, Cappelli, Chiara
發表在 Front Chem (2020)

Stereo-electronic, vibrational, and environmental contributions to polarizabilities of large molecular systems: a feasible anharmonic protocol

由 Egidi, Franco, Giovannini, Tommaso, Piccardo, Matteo, Bloino, Julien, Cappelli, Chiara, Barone, Vincenzo
發表在 J Chem Theory Comput (2014)

Multilevel Density Functional Theory

由 Marrazzini, Gioia, Giovannini, Tommaso, Scavino, Marco, Egidi, Franco, Cappelli, Chiara, Koch, Henrik
發表在 J Chem Theory Comput (2021)

In situ stable crack growth at the micron scale

由 Sernicola, Giorgio, Giovannini, Tommaso, Patel, Punit, Kermode, James R., Balint, Daniel S., Britton, T. Ben, Giuliani, Finn
發表在 Nat Commun (2017)