AIETA, CHIARA DONATELLA

AIETA, CHIARA DONATELLA  

Dipartimento di Chimica  

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Risultati 1 - 20 di 28 (tempo di esecuzione: 0.003 secondi).
Titolo Data di pubblicazione Autori Tipo File Abstract
Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine 28-ago-2020 Aieta C.Micciarelli M.Bertaina G.Ceotto M. Article (author) -
The complex vibrational spectrum of proline explained through the adiabatically switched semiclassical initial value representation 1-gen-2022 Botti GiacomoAieta ChiaraConte Riccardo Article (author) -
Doped nano-titania: theoretical insight into structure-property relationships 1-set-2014 Michele CeottoLeonardo Lo PrestiLaura LoconteDaniela MeroniLuigi FalciolaValentina PifferiGuido SoliveriGiuseppe CappellettiChiara D. AietaSilvia Ardizzone + Conference Object -
An Efficient Computational Approach for the Calculation of the Vibrational Density of States 3-feb-2016 AIETA, CHIARA DONATELLAGABAS, FABIOCEOTTO, MICHELE Article (author) -
An efficient computational approach for the calculation of the vibrational density of states 8-giu-2016 F. GabasC. D. AietaM. Ceotto Conference Object -
Fighting the curse of dimensionality with semiclassical approaches in reaction rate theory 5-set-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 8-feb-2022 Giacomo MandelliChiara AietaMichele Ceotto Article (author) -
Improved semiclassical dynamics through adiabatic switching trajectory sampling 7-dic-2019 Conte, RiccardoParma, LorenzoAieta, ChiaraROGNONI, ALESSANDROCeotto, Michele Article (author) -
Machine learning for vibrational spectroscopy via divide-and-conquer semiclassical initial value representation molecular dynamics with application to N-methylacetamide 28-nov-2020 Michele GandolfiAlessandro RognoniChiara AietaRiccardo ConteMichele Ceotto Article (author) -
Parallel Implementation of Anharmonic Constants to Speedup Semiclassical Transition State Theory Rate Constant Calculations 15-giu-2021 Giacomo MandelliChiara AietaMichele Ceotto Conference Object -
Parallel Implementation of Semiclassical Transition State Theory 9-apr-2019 Aieta C.Gabas F.Ceotto M. Article (author) -
Parallel Implementation of Semiclassical Transition State Theory and its application to high-dimensional tunneling reactions 20-giu-2019 C. AietaF. GabasM. Ceotto Conference Object -
Quantum and Semiclassical Methods for Molecular Rate Constants and Vibrational Spectra Calculations 3-lug-2017 M. CeottoC. AietaF. GabasG. Di LibertoR. Conte Conference Object -
QUANTUM AND SEMICLASSICAL METHODS FOR RATE CONSTANT CALCULATIONS 2-feb-2018 C.D. Aieta Doctoral Thesis -
A quantum approximate method for the calculation of thermal reaction rate constants 8-giu-2016 C.D. AietaM. Ceotto Conference Object -
A quantum approximate method for the calculation of thermal reaction rate constants 14-giu-2016 C.D. AietaM. Ceotto Conference Object -
A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral 1-gen-2017 C. AietaM. Ceotto Article (author) -
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics 24-set-2021 C. AietaM. MicciarelliM. Ceotto + Conference Object -
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics 15-giu-2022 Chiara AietaMarco MicciarelliGianluca BertainaMichele Ceotto Conference Object -
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics 21-set-2021 C. AietaM. MicciarelliM. Ceotto + Conference Object -