AIETA, CHIARA DONATELLA

AIETA, CHIARA DONATELLA

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Dettaglio

AIETA, CHIARA DONATELLA 

Dipartimento di Chimica 

Pubblicazioni

Risultati 1 - 20 di 24 (tempo di esecuzione: 0.001 secondi).

TitoloData di pubblicazioneAutoriTipoFile Abstract
1Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine28-ago-2020AIETA, CHIARA DONATELLA  ; MICCIARELLI, MARCO  ; BERTAINA, GIANLUCA  ; CEOTTO, MICHELE  Article (author)  Open Access
2Doped nano-titania: theoretical insight into structure-property relationshipsset-2014CEOTTO, MICHELE  ; LO PRESTI, LEONARDO  ; LOCONTE, LAURA  ; MERONI, DANIELA  ; FALCIOLA, LUIGI  ; PIFFERI, VALENTINA  ; SOLIVERI, GUIDO  ; CAPPELLETTI, GIUSEPPE  ; AIETA, CHIARA DONATELLA  ; ARDIZZONE, SILVIA  Conference Object-
3An efficient computational approach for the calculation of the vibrational density of states8-giu-2016GABAS, FABIO  ; AIETA, CHIARA DONATELLA  ; CEOTTO, MICHELE  Conference Object  Open Access
4An Efficient Computational Approach for the Calculation of the Vibrational Density of States3-feb-2016AIETA, CHIARA DONATELLA  ; GABAS, FABIO  ; CEOTTO, MICHELE  Article (author)  Open Access
5Improved semiclassical dynamics through adiabatic switching trajectory sampling7-dic-2019CONTE, RICCARDO  ; PARMA, LORENZO  ; AIETA, CHIARA DONATELLA  ; ROGNONI, ALESSANDRO  ; CEOTTO, MICHELE  Article (author)  Open Access
6Machine learning for vibrational spectroscopy via divide-and-conquer semiclassical initial value representation molecular dynamics with application to N-methylacetamide28-nov-2020GANDOLFI, MICHELE  ; ROGNONI, ALESSANDRO  ; AIETA, CHIARA DONATELLA  ; CONTE, RICCARDO  ; CEOTTO, MICHELE  Article (author)  Open Access
7Parallel Implementation of Anharmonic Constants to Speedup Semiclassical Transition State Theory Rate Constant Calculations15-giu-2021MANDELLI, GIACOMO  ; AIETA, CHIARA DONATELLA  ; CEOTTO, MICHELE  Conference Object  Open Access
8Parallel Implementation of Semiclassical Transition State Theory9-apr-2019AIETA, CHIARA DONATELLA  ; GABAS, FABIO  ; CEOTTO, MICHELE  Article (author)  Solo autorizzati
9Parallel Implementation of Semiclassical Transition State Theory and its application to high-dimensional tunneling reactions20-giu-2019AIETA, CHIARA DONATELLA  ; GABAS, FABIO  ; CEOTTO, MICHELE  Conference Object  Open Access
10Quantum and Semiclassical Methods for Molecular Rate Constants and Vibrational Spectra Calculations3-lug-2017CEOTTO, MICHELE  ; AIETA, CHIARA DONATELLA  ; GABAS, FABIO  ; DI LIBERTO, GIOVANNI  ; CONTE, RICCARDO  Conference Object-
11QUANTUM AND SEMICLASSICAL METHODS FOR RATE CONSTANT CALCULATIONS2-feb-2018AIETA, CHIARA DONATELLA  Doctoral Thesis  Open Access
12A quantum approximate method for the calculation of thermal reaction rate constants8-giu-2016AIETA, CHIARA DONATELLA  ; CEOTTO, MICHELE  Conference Object-
13A quantum approximate method for the calculation of thermal reaction rate constants14-giu-2016AIETA, CHIARA DONATELLA  ; CEOTTO, MICHELE  Conference Object-
14A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral2017AIETA, CHIARA DONATELLA  ; CEOTTO, MICHELE  Article (author)  Open Access
15Quantum nuclear densities from semiclassical on-the-fly molecular dynamics21-set-2021AIETA, CHIARA DONATELLA  ; MICCIARELLI, MARCO  ; CEOTTO, MICHELE  Conference Object-
16Quantum nuclear densities from semiclassical on-the-fly molecular dynamics24-set-2021AIETA, CHIARA DONATELLA  ; MICCIARELLI, MARCO  ; CEOTTO, MICHELE  Conference Object-
17Representing molecular ground and excited vibrational eigenstates with nuclear densities obtained from semiclassical initial value representation molecular dynamics7-dic-2020AIETA, CHIARA DONATELLA  ; BERTAINA, GIANLUCA  ; MICCIARELLI, MARCO  ; CEOTTO, MICHELE  Article (author)  Open Access
18Second generation nitrogen doped titania nanoparticles: a comprehensive electronic and microstructural picture5-dic-2014CEOTTO, MICHELE  ; LO PRESTI, LEONARDO  ; AIETA, CHIARA DONATELLA  ; MERONI, DANIELA  ; ARDIZZONE, SILVIA  ; CAPPELLETTI, GIUSEPPE  Article (author)  riservati
19Semiclassical Initial Value Representation Molecular Dynamics for Spectroscopy28-ott-2021CONTE, RICCARDO  ; AIETA, CHIARA DONATELLA  ; GABAS, FABIO  ; CAZZANIGA, MARCO  ; ROGNONI, ALESSANDRO  ; GANDOLFI, MICHELE  ; BOTTI, GIACOMO  ; MANDELLI, GIACOMO  ; CEOTTO, MICHELE  Conference Object-
20Semiclassical Molecular Dynamics : a useful Tool for Spectroscopic Interpretation11-set-2019CEOTTO, MICHELE  ; CONTE, RICCARDO  ; DI LIBERTO, GIOVANNI  ; GABAS, FABIO  ; MICCIARELLI, MARCO  ; AIETA, CHIARA DONATELLA  ; BERTAINA, GIANLUCA  ; CAZZANIGA, MARCO  ; BUCHHOLZ, MAX  ; SUAREZ CORUJO, JAIME  Conference Object  Open Access
 
 
 
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