MENNUCCI, BENEDETTA Statistiche
MENNUCCI, BENEDETTA
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor
2023-01-01 Mazzeo, P.; Hashem, S.; Lipparini, F.; Cupellini, L.; Mennucci, B.
How the pH Controls Photoprotection in the Light-Harvesting Complex of Mosses
2023-01-01 Pedraza, Laura; Cignoni, Edoardo; D'Ascenzi, Jacopo; Cupellini, Lorenzo; Mennucci, Benedetta
Integrated Computational Study of the Light-Activated Structure of the AppA BLUF Domain and Its Spectral Signatures
2023-01-01 Hashem, Shaima; Alteri, Giovanni Battista; Cupellini, Lorenzo; Mennucci, Benedetta
Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes
2023-01-01 Cignoni, Edoardo; Cupellini, Lorenzo; Mennucci, Benedetta
QM/AMOEBA description of properties and dynamics of embedded molecules
2023-01-01 Nottoli, M.; Bondanza, M.; Mazzeo, P.; Cupellini, L.; Curutchet, C.; Loco, D.; Lagardere, L.; Piquemal, J. -P.; Mennucci, B.; Lipparini, F.
A fast method for electronic couplings in embedded multichromophoric systems
2022-01-01 Cignoni, Edoardo; Cupellini, Lorenzo; Mennucci, Benedetta
A ΔSCF model for excited states within a polarisable embedding
2022-01-01 Nottoli, M.; Mazzeo, P.; Lipparini, F.; Cupellini, L.; Mennucci, B.
Excitonic Nature of Carotenoid-Phthalocyanine Dyads and Its Role in Transient Absorption Spectra
2022-01-01 Sláma, Vladislav; Cupellini, Lorenzo; Mennucci, Benedetta
Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles
2022-01-01 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
Probing aqueous ions with non-local Auger relaxation
2022-01-01 Gopakumar, G.; Muchova, E.; Unger, I.; Malerz, S.; Trinter, F.; Ohrwall, G.; Lipparini, F.; Mennucci, B.; Ceolin, D.; Caleman, C.; Wilkinson, I.; Winter, B.; Slavicek, P.; Hergenhahn, U.; Bjorneholm, O.
Protein control of photochemistry and transient intermediates in phytochromes
2022-01-01 Salvadori, Giacomo; Macaluso, Veronica; Pellicci, Giulia; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta
Structure of the stress-related LHCSR1 complex determined by an integrated computational strategy
2022-01-01 Guarnetti Prandi, I.; Slama, V.; Pecorilla, C.; Cupellini, L.; Mennucci, B.
The atomistic modeling of light-harvesting complexes from the physical models to the computational protocol
2022-01-01 Cignoni, Edoardo; Slama, Vladislav; Cupellini, Lorenzo; Mennucci, Benedetta
Trajectory Surface Hopping for a Polarizable Embedding QM/MM Formulation
2022-01-01 Bondanza, M.; Demoulin, B.; Lipparini, F.; Barbatti, M.; Mennucci, B.
Ultrafast Excited-State Dynamics of Carotenoids and the Role of the SX State
2022-01-01 Accomasso, Davide; Arslancan, Serra; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta
Unravelling the ultrafast dynamics of a N-BODIPY compound
2022-01-01 Doria, S.; Taddei, M.; Cupellini, L.; Biagiotti, G.; Bartolini, P.; Bussotti, L.; Cicchi, S.; Foggi, P.; Mennucci, B.; Di Donato, M.
A different perspective for nonphotochemical quenching in plant antenna complexes
2021-01-01 Cignoni, E.; Lapillo, M.; Cupellini, L.; Acosta-Gutierrez, S.; Gervasio, F. L.; Mennucci, B.
An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone
2021-01-01 Nottoli, M.; Bondanza, M.; Lipparini, F.; Mennucci, B.
Computational Investigation of Structural and Spectroscopic Properties of LOV-Based Proteins with Improved Fluorescence
2021-01-01 Cardoso Ramos, Felipe; Cupellini, Lorenzo; Mennucci, Benedetta
Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation
2021-01-01 Nottoli, M.; Nifosi, R.; Mennucci, B.; Lipparini, F.
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor | 1-gen-2023 | Mazzeo, P.; Hashem, S.; Lipparini, F.; Cupellini, L.; Mennucci, B. | |
| How the pH Controls Photoprotection in the Light-Harvesting Complex of Mosses | 1-gen-2023 | Pedraza, Laura; Cignoni, Edoardo; D'Ascenzi, Jacopo; Cupellini, Lorenzo; Mennucci, Benedetta | |
| Integrated Computational Study of the Light-Activated Structure of the AppA BLUF Domain and Its Spectral Signatures | 1-gen-2023 | Hashem, Shaima; Alteri, Giovanni Battista; Cupellini, Lorenzo; Mennucci, Benedetta | |
| Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes | 1-gen-2023 | Cignoni, Edoardo; Cupellini, Lorenzo; Mennucci, Benedetta | |
| QM/AMOEBA description of properties and dynamics of embedded molecules | 1-gen-2023 | Nottoli, M.; Bondanza, M.; Mazzeo, P.; Cupellini, L.; Curutchet, C.; Loco, D.; Lagardere, L.; Piquemal, J. -P.; Mennucci, B.; Lipparini, F. | |
| A fast method for electronic couplings in embedded multichromophoric systems | 1-gen-2022 | Cignoni, Edoardo; Cupellini, Lorenzo; Mennucci, Benedetta | |
| A ΔSCF model for excited states within a polarisable embedding | 1-gen-2022 | Nottoli, M.; Mazzeo, P.; Lipparini, F.; Cupellini, L.; Mennucci, B. | |
| Excitonic Nature of Carotenoid-Phthalocyanine Dyads and Its Role in Transient Absorption Spectra | 1-gen-2022 | Sláma, Vladislav; Cupellini, Lorenzo; Mennucci, Benedetta | |
| 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 | |
| Probing aqueous ions with non-local Auger relaxation | 1-gen-2022 | Gopakumar, G.; Muchova, E.; Unger, I.; Malerz, S.; Trinter, F.; Ohrwall, G.; Lipparini, F.; Mennucci, B.; Ceolin, D.; Caleman, C.; Wilkinson, I.; Winter, B.; Slavicek, P.; Hergenhahn, U.; Bjorneholm, O. | |
| Protein control of photochemistry and transient intermediates in phytochromes | 1-gen-2022 | Salvadori, Giacomo; Macaluso, Veronica; Pellicci, Giulia; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta | |
| Structure of the stress-related LHCSR1 complex determined by an integrated computational strategy | 1-gen-2022 | Guarnetti Prandi, I.; Slama, V.; Pecorilla, C.; Cupellini, L.; Mennucci, B. | |
| The atomistic modeling of light-harvesting complexes from the physical models to the computational protocol | 1-gen-2022 | Cignoni, Edoardo; Slama, Vladislav; Cupellini, Lorenzo; Mennucci, Benedetta | |
| Trajectory Surface Hopping for a Polarizable Embedding QM/MM Formulation | 1-gen-2022 | Bondanza, M.; Demoulin, B.; Lipparini, F.; Barbatti, M.; Mennucci, B. | |
| Ultrafast Excited-State Dynamics of Carotenoids and the Role of the SX State | 1-gen-2022 | Accomasso, Davide; Arslancan, Serra; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta | |
| Unravelling the ultrafast dynamics of a N-BODIPY compound | 1-gen-2022 | Doria, S.; Taddei, M.; Cupellini, L.; Biagiotti, G.; Bartolini, P.; Bussotti, L.; Cicchi, S.; Foggi, P.; Mennucci, B.; Di Donato, M. | |
| A different perspective for nonphotochemical quenching in plant antenna complexes | 1-gen-2021 | Cignoni, E.; Lapillo, M.; Cupellini, L.; Acosta-Gutierrez, S.; Gervasio, F. L.; Mennucci, B. | |
| An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone | 1-gen-2021 | Nottoli, M.; Bondanza, M.; Lipparini, F.; Mennucci, B. | |
| Computational Investigation of Structural and Spectroscopic Properties of LOV-Based Proteins with Improved Fluorescence | 1-gen-2021 | Cardoso Ramos, Felipe; Cupellini, Lorenzo; Mennucci, Benedetta | |
| Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation | 1-gen-2021 | Nottoli, M.; Nifosi, R.; Mennucci, B.; Lipparini, F. |