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Davide Mitoli
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CRYSTALpytools: a Python infrastructure for the Crystal code
B Camino, H Zhou, E Ascrizzi, A Boccuni, F Bodo, A Cossard, D Mitoli, ...
Computer Physics Communications 292, 108853, 2023
72023
Anharmonic terms of the potential energy surface: A group theoretical approach
D Mitoli, J Maul, A Erba
Crystal Growth & Design 23 (5), 3671-3680, 2023
22023
Mechanical and dynamical stability of major oxide constituents of Portland cement clinker: a density functional theory study
J Maul, D Mitoli, A Erba, RPS Dutra
Journal of the American Ceramic Society, 2024
12024
First-Principles Anharmonic Infrared and Raman Vibrational Spectra of Materials: Fermi Resonance in Dry Ice
D Mitoli, J Maul, A Erba
The Journal of Physical Chemistry Letters 15, 888-894, 2024
2024
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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