| MultiWell-2020 software suite. Barker JR, University of Michigan JR Barker, TL Nguyen, JF Stanton, C Aieta, M Ceotto, F Gabas, ... Ann Arbor, Michigan, USA. https://clasp-researchenginumichedu/multiwell, 2020 | 217* | 2020 |
| Unraveling the Cooperative Mechanism of Visible-Light Absorption in Bulk N,Nb Codoped TiO2 Powders of Nanomaterials C Marchiori, G Di Liberto, G Soliveri, L Loconte, L Lo Presti, D Meroni, ... The Journal of Physical Chemistry C 118 (41), 24152-24164, 2014 | 57 | 2014 |
| Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine C Aieta, M Micciarelli, G Bertaina, M Ceotto Nature communications 11 (1), 4348, 2020 | 41 | 2020 |
| Improved semiclassical dynamics through adiabatic switching trajectory sampling R Conte, L Parma, C Aieta, A Rognoni, M Ceotto The Journal of Chemical Physics 151 (21), 2019 | 36 | 2019 |
| An efficient computational approach for the calculation of the vibrational density of states C Aieta, F Gabas, M Ceotto The Journal of Physical Chemistry A 120 (27), 4853-4862, 2016 | 36 | 2016 |
| Machine learning for vibrational spectroscopy via divide-and-conquer semiclassical initial value representation molecular dynamics with application to N-methylacetamide M Gandolfi, A Rognoni, C Aieta, R Conte, M Ceotto The Journal of Chemical Physics 153 (20), 2020 | 29 | 2020 |
| Second generation nitrogen doped titania nanoparticles: a comprehensive electronic and microstructural picture F Spadavecchia, M Ceotto, LL Presti, C Aieta, I Biraghi, D Meroni, ... Chinese Journal of Chemistry 32 (12), 1195-1213, 2014 | 24 | 2014 |
| Parallel implementation of semiclassical transition state theory C Aieta, F Gabas, M Ceotto Journal of Chemical Theory and Computation 15 (4), 2142-2153, 2019 | 22 | 2019 |
| Representing molecular ground and excited vibrational eigenstates with nuclear densities obtained from semiclassical initial value representation molecular dynamics C Aieta, G Bertaina, M Micciarelli, M Ceotto The Journal of Chemical Physics 153 (21), 2020 | 21 | 2020 |
| Heavy atom tunneling in organic reactions at coupled cluster potential accuracy with a parallel implementation of anharmonic constant calculations and semiclassical transition … G Mandelli, C Aieta, M Ceotto Journal of Chemical Theory and Computation 18 (2), 623-637, 2022 | 19 | 2022 |
| Anharmonicity and quantum nuclear effects in theoretical vibrational spectroscopy: a molecular tale of two cities R Conte, C Aieta, G Botti, M Cazzaniga, M Gandolfi, C Lanzi, G Mandelli, ... Theoretical Chemistry Accounts 142 (5), 53, 2023 | 16 | 2023 |
| The complex vibrational spectrum of proline explained through the adiabatically switched semiclassical initial value representation G Botti, C Aieta, R Conte The Journal of Chemical Physics 156 (16), 2022 | 16 | 2022 |
| A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral C Aieta, M Ceotto The Journal of Chemical Physics 146 (21), 2017 | 16 | 2017 |
| Coupled Cluster Semiclassical Estimates of Experimental Reaction Rates: The Interconversion of Glycine Conformer VIp to Ip G Mandelli, L Corneo, C Aieta The Journal of Physical Chemistry Letters 14 (44), 9996-10002, 2023 | 10 | 2023 |
| A perspective on the investigation of spectroscopy and kinetics of complex molecular systems with semiclassical approaches R Conte, C Aieta, M Cazzaniga, M Ceotto The Journal of Physical Chemistry Letters 15 (30), 7566-7576, 2024 | 4 | 2024 |
| A time averaged semiclassical approach to IR spectroscopy C Lanzi, C Aieta, M Ceotto, R Conte The Journal of Chemical Physics 160 (21), 2024 | 2 | 2024 |
| Elucidating Heavy‐Atom‐Tunneling Kinetics in the Cope Rearrangement of Semibullvalene F Angiolari, G Mandelli, S Huppert, C Aieta, R Spezia Chemistry–A European Journal 30 (60), e202401000, 2024 | | 2024 |
| Is Quantum Above-Barrier Reflection Important for Molecular Barrier Crossing Rates? C Aieta, M Ceotto, E Pollak Journal of Chemical Theory and Computation 20 (18), 7766-7774, 2024 | | 2024 |
| Quantum and Semiclassical Methods for Rate Constant Calculations CD Aieta Università degli Studi di Milano, 2018 | | 2018 |
