Sfoglia per Autore
Anharmonic calculations of vibrational spectra for molecular adsorbates: A divide-and-conquer semiclassical molecular dynamics approach
2020 M. Cazzaniga, M. Micciarelli, F. Moriggi, A. Mahmoud, F. Gabas, M. Ceotto
Anharmonic calculations of vibrational spectra for molecular adsorbates : A divide-and-conquer semiclassical molecular dynamics approach
2021 M. Cazzaniga, M. Micciarelli, F. Moriggi, A.N. Mahmoud, F. Gabas, M. Ceotto
Semiclassical Molecular Dynamics for Spectroscopic Calculations
2021 M. Ceotto, R. Conte, C.D. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Micciarelli, M. Gandolfi, G. Botti
Anharmonic calculations of vibrational spectra for molecular adsorbates : A divide-and-conquer semiclassical molecular dynamics approach
2021 M. Cazzaniga, M. Micciarelli, F. Gabas, F. Finocchi, M. Ceotto
Semiclassical Initial Value Representation Molecular Dynamics for Spectroscopy
2021 R. Conte, C.D. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Gandolfi, G. Botti, G. Mandelli, D. Moscato, C. Lanzi, M. Ceotto
Semiclassical Molecular Dynamics for Spectroscopy
2022 R. Conte, C. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Gandolfi, G. Botti, G. Mandelli, G. DI LIBERTO, M. Micciarelli, D. Moscato, C. Lanzi, M. Ceotto
Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption
2022 M. Cazzaniga, M. Micciarelli, F. Gabas, F. Finocchi, M. Ceotto
Implementations of Semiclassical Approximations for Spectroscopic and Vibrational Eigenfunction Calculations
2022 R. Conte, C.D. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Gandolfi, G. Botti, D. Moscato, C. Lanzi, M. Ceotto
Elucidating NO x surface chemistry at the anatase (101) surface in TiO2 nanoparticles
2023 L. Mino, M. Cazzaniga, F. Moriggi, M. Ceotto
Oxygen Vacancies in the Spotlight: On the Engineering of Intrinsic Defects in Highly Defective Tio2 Photocatalysts
2023 D. Meroni, C. Cionti, L. Silvestrini, N. Gal, M. Cazzaniga, M. Ceotto, G. Buccella, L. LO PRESTI, G. Cappelletti
From anharmonicity to Nuclear Quantum Effects in medium and large sized molecular systems
2023 D. Moscato, R. Conte, C. Aieta, G. Botti, M. Cazzaniga, M. Gandolfi, C. Lanzi, G. Mandelli, M. Ceotto
Oxygen Vacancies in the Spotlight: On the Engineering of Intrinsic Defects in Highly Defective Tio2 Photocatalysts
2023 D. Meroni, C. Cionti, L. Silvestrini, N. Gal, M. Cazzaniga, M. Ceotto, G. Buccella, L. LO PRESTI, G. Cappelletti
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