MANDELLI, GIACOMO
MANDELLI, GIACOMO
Dipartimento di Chimica
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Fighting the curse of dimensionality with semiclassical approaches in reaction rate theory
2022 C. Aieta, G. Mandelli, F. Gabas, M. Ceotto
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 G. Mandelli, C.D. Aieta, M. Ceotto
Parallel Implementation of Anharmonic Constants to Speedup Semiclassical Transition State Theory Rate Constant Calculations
2021 G. Mandelli, C.D. Aieta, M. Ceotto
Semiclassical Initial Value Representation Molecular Dynamics for Spectroscopy
2021 R. Conte, C.D. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Gandolfi, G. Botti, G. Mandelli, D. Moscato, C. Lanzi, M. Ceotto
| Titolo | Data di pubblicazione | Autori | Tipo | File | Abstract |
|---|---|---|---|---|---|
| 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) | - | |
| Parallel Implementation of Anharmonic Constants to Speedup Semiclassical Transition State Theory Rate Constant Calculations | 15-giu-2021 | Giacomo MandelliChiara AietaMichele Ceotto | Conference Object | - | |
| Semiclassical Initial Value Representation Molecular Dynamics for Spectroscopy | 28-ott-2021 | Riccardo ConteChiara AietaFabio GabasMarco CazzanigaAlessandro RognoniMichele GandolfiGiacomo BottiGiacomo MandelliDavide MoscatoMichele Ceotto + | Conference Object | - |