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Titolo Data di pubblicazione Autore(i) File
Investigating the Photodynamics of trans-Azobenzene with Coupled Trajectories 1-gen-2024 Pieroni, Carlotta; Sangiogo Gil, Eduarda; Ibele, Lea M.; Persico, Maurizio; Granucci, Giovanni; Agostini, Federica
Computational design of covalently bound dimers for singlet fission 1-gen-2023 Accomasso, D.; Ben Amor, N.; Persico, M.; Granucci, G.
Dual photoisomerization mechanism of azobenzene embedded in a lipid membrane 1-gen-2023 Osella, Silvio; Granucci, Giovanni; Persico, Maurizio; Knippenberg, Stefan
Effect of Initial Conditions Sampling on Surface Hopping Simulations in the Ultrashort and Picosecond Time Range. Azomethane Photodissociation as a Case Study 1-gen-2023 Pieroni, Carlotta; Becuzzi, Filippo; Creatini, Luigi; Granucci, Giovanni; Persico, Maurizio
Computational design of singlet fission biradicaloid chromophores 1-gen-2022 Accomasso, Davide; Persico, Maurizio; Granucci, Giovanni
Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls 1-gen-2022 Sangiogo Gil, Eduarda; Persico, Maurizio; Granucci, Giovanni
Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles 1-gen-2022 Barbatti, Mario; Bondanza, Mattia; Crespo-Otero, Rachel; Demoulin, Baptiste; Dral, Pavlo O; Granucci, Giovanni; Kossoski, Fábris; Lischka, Hans; Mennucci, Benedetta; Mukherjee, Saikat; Pederzoli, Marek; Persico, Maurizio; Pinheiro, Max; Pittner, Jiří; Plasser, Felix; Sangiogo Gil, Eduarda; Stojanovic, Ljiljana
The Quantum Decoherence Problem in Nonadiabatic Trajectory Methods 1-gen-2022 Persico, Maurizio; Granucci, Giovanni; Accomasso, Davide
Sampling initial positions and momenta for nuclear trajectories from quantum mechanical distributions 1-gen-2021 Yao, Yuxuan; Hase, William L.; Granucci, Giovanni; Persico, Maurizio
Singlet fission in covalent dimers of methylene-locked 1,3-diphenyl-isobenzofuran: semiclassical simulations of nonadiabatic dynamics 1-gen-2021 Accomasso, Davide; Granucci, Giovanni; Persico, Maurizio
Surface Hopping Dynamics with the Frenkel Exciton Model in a Semiempirical Framework 1-gen-2021 Sangiogo Gil, E.; Granucci, G.; Persico, M.
Delocalization effects in singlet fission: Comparing models with two and three interacting molecules 1-gen-2020 Accomasso, D.; Granucci, G.; Wibowo, M.; Persico, M.
Photochemistry in the strong coupling regime: A trajectory surface hopping scheme 1-gen-2020 Fregoni, J.; Corni, S.; Persico, M.; Granucci, G.
Strong Coupling with Light Enhances the Photoisomerization Quantum Yield of Azobenzene 1-gen-2020 Fregoni, J.; Granucci, G.; Persico, M.; Corni, S.
Diabatization by localization in the framework of configuration interaction based on floating occupation molecular orbitals (FOMO-CI). 1-gen-2019 Accomasso, Davide; Granucci, Giovanni; Persico, Maurizio
Nonadiabatic dynamics simulations of singlet fission in 2,5-bis(fluorene-9-ylidene)-2,5-dihydrothiophene crystals 1-gen-2019 Wibowo, Meilani; Persico, Maurizio; Granucci, Giovanni
Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study 1-gen-2018 Mondal, Padmabati; Granucci, Giovanni; Rastädter, Dominique; Persico, Maurizio; Burghardt, Irene
Energy Selection in Nonadiabatic Transitions 1-gen-2018 Granucci, Giovanni; Melani, Giacomo; Persico, Maurizio; Van Leuven, Piet
Manipulating azobenzene photoisomerization through strong light-molecule coupling 1-gen-2018 Fregoni, J; Granucci, G; Coccia, E; Persico, M; Corni, S
Photochemistry. A modern theoretical perspective 1-gen-2018 Persico, Maurizio; Granucci, Giovanni