AIETA, CHIARA DONATELLA

AIETA, CHIARA DONATELLA  

Dipartimento di Chimica  

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Risultati 1 - 20 di 39 (tempo di esecuzione: 0.015 secondi).
Titolo Data di pubblicazione Autori Tipo File Abstract
A time averaged semiclassical approach to IR spectroscopy 2024 Lanzi, CeciliaAieta, ChiaraCeotto, MicheleConte, Riccardo Article (author) -
Using AS SCIVR to understand Proline vibrational spectrum 2023 G. BottiC. D. AietaM. CeottoR. Conte Conference Object -
A semiclassical route to the calculation of IR spectra 2023 Cecilia LanziChiara AietaMichele CeottoRiccardo Conte Conference Object -
Semiclassical vibrational spectroscopy from small molecules to solvated biomolecules 2023 Conte, RiccardoLanzi, CeciliaBotti, GiacomoMandelli, GiacomoMoscato, DavideAieta, ChiaraCeotto, Michele 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 -
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) -
Semiclassical investigation of nuclear quantum effects in chemical kinetics and vibrational spectroscopy 2023 Chiara Donatella Aieta Conference Object -
Coupled Cluster Semiclassical Estimates of Experimental Reaction Rates: The Interconversion of Glycine Conformer VIp to Ip 2023 Mandelli, GiacomoAieta, Chiara + Article (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 -
Semiclassical Molecular Dynamics as a useful tool for Nuclear Spectroscopy 2022 Riccardo ConteChiara AietaFabio GabasGianluca BertainaAlessandro RognoniMichele GandolfiGiacomo BottiGiacomo MandelliDavide MoscatoMichele Ceotto + Conference Object -
Semiclassical Molecular Dynamics for Spectroscopy 2022 Riccardo ConteChiara AietaFabio GabasGianluca BertainaMarco CazzanigaAlessandro RognoniMichele GandolfiGiacomo BottiGiacomo MandelliGiovanni Di LibertoMarco MicciarelliDavide MoscatoMichele Ceotto + Conference Object -
Heavy Atom Tunneling in Organic Reactions at Coupled Cluster Potential Accuracy with a Parallel Implementation of Anharmonic Constant Calculations and Semiclassical Transition State Theory 2022 Giacomo MandelliChiara AietaMichele Ceotto Article (author) -
The complex vibrational spectrum of proline explained through the adiabatically switched semiclassical initial value representation 2022 Botti GiacomoAieta ChiaraConte Riccardo Article (author) -
Semiclassical Molecular Dynamics for Spectroscopic Calculations 2021 Michele CeottoRiccardo ConteChiara AietaFabio GabasGianluca BertainaMarco CazzanigaAlessandro RognoniMarco MicciarelliMichele GandolfiGiacomo Botti Conference Object -
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics 2021 C. AietaM. MicciarelliM. Ceotto + Conference Object -
Parallel Implementation of Anharmonic Constants to Speedup Semiclassical Transition State Theory Rate Constant Calculations 2021 Giacomo MandelliChiara AietaMichele Ceotto Conference Object -
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics 2021 C. AietaM. MicciarelliM. Ceotto + Conference Object -
Semiclassical Initial Value Representation Molecular Dynamics for Spectroscopy 2021 Riccardo ConteChiara AietaFabio GabasMarco CazzanigaAlessandro RognoniMichele GandolfiGiacomo BottiGiacomo MandelliDavide MoscatoMichele Ceotto + Conference Object -