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The Journal of Physical Chemistry Letters|January 19, 2024
First-Principles Anharmonic Infrared and Raman Vibrational Spectra of Materials: Fermi Resonance in Dry IceDavide Mitoli, Jefferson Maul, Alessandro ErbaThe Journal of Physical Chemistry Letters|September 15, 2025
Anharmonicity in Molecular Crystals: Generalized Perturbation Theory Meets Periodic ComputationsDavide Mitoli, Alessandro Erba, Vincenzo Barone, et al.Journal of Chemical Theory and Computation|March 10, 2025
Anharmonic Vibrational States of Double-Well Potentials in the Solid State from DFT CalculationsDavide Mitoli, Maria Petrov, Jefferson Maul, et al.The Journal of Physical Chemistry Letters|July 15, 2024
Unveiling the Role of Spin Currents on the Giant Rashba Splitting in Single-Layer WSe2Alberto Boccuni, Bárbara Maria Teixeira Costa Peluzo, Filippo Bodo, et al.Pageof 1