Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures

ανά Giovannini, Tommaso, Bonatti, Luca, Polini, Marco, Cappelli, Chiara
Τόπος έκδοσης J Phys Chem Lett (2020)

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

ανά Skoko, Sulejman, Ambrosetti, Matteo, Giovannini, Tommaso, Cappelli, Chiara
Τόπος έκδοσης 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

ανά Marrazzini, Gioia, Giovannini, Tommaso, Egidi, Franco, Cappelli, Chiara
Τόπος έκδοσης J Chem Theory Comput (2020)

Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches

ανά Bonatti, Luca, Gil, Gabriel, Giovannini, Tommaso, Corni, Stefano, Cappelli, Chiara
Τόπος έκδοσης Front Chem (2020)

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

ανά Egidi, Franco, Giovannini, Tommaso, Piccardo, Matteo, Bloino, Julien, Cappelli, Chiara, Barone, Vincenzo
Τόπος έκδοσης J Chem Theory Comput (2014)

Multilevel Density Functional Theory

ανά Marrazzini, Gioia, Giovannini, Tommaso, Scavino, Marco, Egidi, Franco, Cappelli, Chiara, Koch, Henrik
Τόπος έκδοσης J Chem Theory Comput (2021)

In situ stable crack growth at the micron scale

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