CEOTTO, MICHELE

CEOTTO, MICHELE  

Dipartimento di Chimica  

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Risultati 1 - 20 di 179 (tempo di esecuzione: 0.012 secondi).
Titolo Data di pubblicazione Autori Tipo File Abstract
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine 2024 Moscato, DavideMandelli, GiacomoConte, RiccardoCeotto, Michele + Article (author) -
Oxygen Vacancies in the Spotlight: On the Engineering of Intrinsic Defects in Highly Defective Tio2 Photocatalysts 2023 Daniela MeroniCarolina CiontiMarco CazzanigaMichele CeottoLeonardo Lo PrestiGiuseppe Cappelletti + Article (author) -
Vibrational spectroscopy simulation of solvation effects on a G-quadruplex 2023 Moscato, DavideGabas, FabioConte, RiccardoCeotto, Michele Article (author) -
Oxygen Vacancies in the Spotlight: On the Engineering of Intrinsic Defects in Highly Defective Tio2 Photocatalysts 2023 Daniela MeroniCarolina CiontiMarco CazzanigaMichele CeottoLeonardo Lo PrestiGiuseppe Cappelletti + Article (author) -
Anharmonicity and quantum nuclear effects in theoretical vibrational spectroscopy: A molecular tale of two cities 2023 Conte, RiccardoAieta, ChiaraBotti, GiacomoGandolfi, MicheleLanzi, CeciliaMandelli, GiacomoMoscato, DavideCeotto, Michele + Article (author) -
Elucidating NO x surface chemistry at the anatase (101) surface in TiO2 nanoparticles 2023 Cazzaniga, MarcoCeotto, Michele + Article (author) -
A semiclassical route to the calculation of IR spectra 2023 Cecilia LanziChiara AietaMichele CeottoRiccardo Conte Conference Object -
Anharmonic Assignment of the Water Octamer Spectrum in the OH Stretch Region 2023 Bertaina, GianlucaCeotto, MicheleConte, Riccardo + Article (author) -
Molecular Dynamics of Artificially Pair-Decoupled Systems: An Accurate Tool for Investigating the Importance of Intramolecular Couplings 2023 Michele GandolfiMichele Ceotto Article (author) -
Semiclassical vibrational spectroscopy from small molecules to solvated biomolecules 2023 Conte, RiccardoLanzi, CeciliaBotti, GiacomoMandelli, GiacomoMoscato, DavideAieta, ChiaraCeotto, Michele Conference Object -
Using AS SCIVR to understand Proline vibrational spectrum 2023 G. BottiC. D. AietaM. CeottoR. Conte Conference Object -
From anharmonicity to Nuclear Quantum Effects in medium and large sized molecular systems 2023 Davide MoscatoRiccardo ConteChiara AietaGiacomo BottiMarco CazzanigaMichele GandolfiCecilia LanziGiacomo MandelliMichele Ceotto Conference Object -
The first HyDRA challenge for computational vibrational spectroscopy 2023 Mandelli, GiacomoLanzi, CeciliaConte, RiccardoCeotto, Michele + Article (author) -
Investigating the Spectroscopy of the Gas Phase Guanine-Cytosine Pair: Keto versus Enol Configurations 2023 Botti, GiacomoCeotto, MicheleConte, Riccardo Article (author) -
Using AS SCIVR to understand Proline vibrational spectrum 2022 G. BottiM. CeottoR. Conte Conference Object -
Quantum Vibrational Spectroscopy of Explicitly Solvated Thymidine in Semiclassical Approximation 2022 Gabas F.Conte R.Ceotto M. Article (author) -
Semiclassical Vibrational Dynamics for Molecular and Supra-Molecular Systems 2022 R. ConteM. Ceotto Book Part (author) -
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics 2022 Chiara AietaMarco MicciarelliGianluca BertainaMichele Ceotto Conference Object -
Fighting the curse of dimensionality with semiclassical approaches in reaction rate theory 2022 C. AietaG. MandelliF. GabasM. Ceotto Conference Object -
Implementations of Semiclassical Approximations for Spectroscopic and Vibrational Eigenfunction Calculations 2022 Riccardo ConteChiara AietaFabio GabasGianluca BertainaMarco CazzanigaAlessandro RognoniMichele GandolfiGiacomo BottiDavide MoscatoMichele Ceotto + Conference Object -