MANDELLI, GIACOMO

MANDELLI, GIACOMO  

Dipartimento di Chimica  

Mostra records
Risultati 1 - 14 di 14 (tempo di esecuzione: 0.0 secondi).
Titolo Data di pubblicazione Autori Tipo File Abstract
Eludicating Heavy‐Atom‐Tunneling Kinetics in the Cope Rearrangement of Semibullvalene 2024 Mandelli, GiacomoAieta, Chiara + Article (author) -
SEMICLASSICAL APPROACHES FOR RATE CONSTANT CALCULATIONS AND VIBRATIONAL SPECTROSCOPY 2024 MANDELLI, GIACOMO Doctoral Thesis -
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine 2024 Moscato, DavideMandelli, GiacomoConte, RiccardoCeotto, 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 -
Semiclassical vibrational spectroscopy from small molecules to solvated biomolecules 2023 Conte, RiccardoLanzi, CeciliaBotti, GiacomoMandelli, GiacomoMoscato, DavideAieta, ChiaraCeotto, Michele Conference Object -
Coupled Cluster Semiclassical Estimates of Experimental Reaction Rates: The Interconversion of Glycine Conformer VIp to Ip 2023 Mandelli, GiacomoAieta, Chiara + Article (author) -
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) -
The first HyDRA challenge for computational vibrational spectroscopy 2023 Mandelli, GiacomoLanzi, CeciliaConte, RiccardoCeotto, Michele + Article (author) -
Semiclassical Molecular Dynamics for Spectroscopy 2022 Riccardo ConteChiara AietaFabio GabasGianluca BertainaMarco CazzanigaAlessandro RognoniMichele GandolfiGiacomo BottiGiacomo MandelliGiovanni Di LibertoMarco MicciarelliDavide MoscatoMichele 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) -
Semiclassical Initial Value Representation Molecular Dynamics for Spectroscopy 2021 Riccardo ConteChiara AietaFabio GabasMarco CazzanigaAlessandro RognoniMichele GandolfiGiacomo BottiGiacomo MandelliDavide MoscatoMichele Ceotto + Conference Object -
Parallel Implementation of Anharmonic Constants to Speedup Semiclassical Transition State Theory Rate Constant Calculations 2021 Giacomo MandelliChiara AietaMichele Ceotto Conference Object -