AIETA, CHIARA DONATELLA

AIETA, CHIARA DONATELLA  

Dipartimento di Chimica  

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Risultati 1 - 20 di 44 (tempo di esecuzione: 0.001 secondi).
Titolo Data di pubblicazione Autori Tipo File Abstract
Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems 2025 Conte, RiccardoMandelli, GiacomoBotti, GiacomoMoscato, DavideLanzi, CeciliaCazzaniga, MarcoAieta, ChiaraCeotto, Michele Article (author) -
Semiclassical reaction rate constant calculations: investigation of anharmonicity and quantum effects 2024 C. AietaM. Ceotto + Conference Object -
Is Quantum Above-Barrier Reflection Important for Molecular Barrier Crossing Rates? 2024 Aieta, ChiaraCeotto, Michele + Article (author) -
A time averaged semiclassical approach to IR spectroscopy 2024 Lanzi, CeciliaAieta, ChiaraCeotto, MicheleConte, Riccardo Article (author) -
Eludicating Heavy‐Atom‐Tunneling Kinetics in the Cope Rearrangement of Semibullvalene 2024 Mandelli, GiacomoAieta, Chiara + Article (author) -
A Perspective on the Investigation of Spectroscopy and Kinetics of Complex Molecular Systems with Semiclassical Approaches 2024 Conte, RiccardoAieta, ChiaraCazzaniga, MarcoCeotto, Michele Article (author) -
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) -
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 -
Using AS SCIVR to understand Proline vibrational spectrum 2023 G. BottiC. D. AietaM. CeottoR. Conte Conference Object -
Coupled Cluster Semiclassical Estimates of Experimental Reaction Rates: The Interconversion of Glycine Conformer VIp to Ip 2023 Mandelli, GiacomoAieta, Chiara + Article (author) -
Semiclassical investigation of nuclear quantum effects in chemical kinetics and vibrational spectroscopy 2023 Chiara Donatella Aieta 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 for Spectroscopy 2022 Riccardo ConteChiara AietaFabio GabasGianluca BertainaMarco CazzanigaAlessandro RognoniMichele GandolfiGiacomo BottiGiacomo MandelliGiovanni Di LibertoMarco MicciarelliDavide MoscatoMichele Ceotto + Conference Object -
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics 2022 Chiara AietaMarco MicciarelliGianluca BertainaMichele 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 -
Fighting the curse of dimensionality with semiclassical approaches in reaction rate theory 2022 C. AietaG. MandelliF. GabasM. 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) -