Dipartimento di Chimica

Prodotti della ricerca selezionati

Mechanical and dynamical stability of major oxide constituents of Portland cement clinker: a density functional theory study
2024-01-01 Maul J.; Mitoli D.; Erba A.; Dutra R.P.S. https://iris.unito.it/handle/2318/2068283

First-Principles Anharmonic Infrared and Raman Vibrational Spectra of Materials: Fermi Resonance in Dry Ice
2024-01-01 Mitoli D.; Maul J.; Erba A. https://iris.unito.it/handle/2318/2068279

Unveiling the Role of Spin Currents on the Giant Rashba Splitting in Single-Layer WSe2
2024-01-01 Boccuni A.; Peluzo B.M.T.C.; Bodo F.; Ambrogio G.; Maul J.; Mitoli D.; Vignale G.; Pittalis S.; Kraka E.; Desmarais J.K.; Erba A. https://iris.unito.it/handle/2318/2068286

CRYSTALpytools: A Python infrastructure for the Crystal code
2023-01-01 Camino, Bruno; Zhou, Huanyu; Ascrizzi, Eleonora; Boccuni, Alberto; Bodo, Filippo; Cossard, Alessandro; Mitoli, Davide; Ferrari, Anna Maria; Erba, Alessandro; Harrison, Nicholas M. https://iris.unito.it/handle/2318/2108270

Anharmonic Terms of the Potential Energy Surface: A Group Theoretical Approach
2023-01-01 Mitoli D.; Maul J.; Erba A. https://iris.unito.it/handle/2318/1924277

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