Sfoglia per Autore
Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes
2024-01-01 Sauer, Paul V.; Cupellini, Lorenzo; Sutter, Markus; Bondanza, Mattia; Agustina Domínguez Martin, María; Kirst, Henning; Bína, David; Fujiet Koh, Adrian; Kotecha, Abhay; Greber, Basil J.; Nogales, Eva; Polívka, Tomáš; Mennucci, Benedetta; Kerfeld, Cheryl A.
The nature of carotenoid S* state and its role in the nonphotochemical quenching of plants
2024-01-01 Accomasso, Davide; Londi, Giacomo; Cupellini, Lorenzo; Mennucci, Benedetta
The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics
2024-01-01 Bondanza, Mattia; Nottoli, Tommaso; Nottoli, Michele; Cupellini, Lorenzo; Lipparini, Filippo; Mennucci, Benedetta
Ultrafast excited-state dynamics of Luteins in the major light-harvesting complex LHCII
2024-01-01 Pedraza-González, Laura; Accomasso, Davide; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine
2024-01-01 Moscato, D.; Mandelli, G.; Bondanza, M.; Lipparini, F.; Conte, R.; Mennucci, B.; Ceotto, M.
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
Origin of Low-Lying Red States in the Lhca4 Light-Harvesting Complex of Photosystem I
2023-01-01 Slama, V.; Cupellini, L.; Mascoli, V.; Liguori, N.; Croce, R.; Mennucci, B.
Deciphering Photoreceptors Through Atomistic Modeling from Light Absorption to Conformational Response
2023-01-01 Salvadori, Giacomo; Mazzeo, Patrizia; Accomasso, Davide; Cupellini, Lorenzo; Mennucci, Benedetta
How the pH Controls Photoprotection in the Light-Harvesting Complex of Mosses
2023-01-01 Pedraza-González, Laura; Cignoni, Edoardo; D'Ascenzi, Jacopo; 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.
How orange carotenoid protein controls the excited state dynamics of canthaxanthin
2023-01-01 Arcidiacono, A.; Accomasso, D.; Cupellini, L.; Mennucci, B.
Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes
2023-01-01 Cignoni, Edoardo; Cupellini, Lorenzo; Mennucci, Benedetta
Ground-state heterogeneity and vibrational energy redistribution in bacterial phytochrome observed with femtosecond 2D IR spectroscopy
2023-01-01 Chenchiliyan, Manoop; Kübel, Joachim; Ooi, Saik Ann; Salvadori, Giacomo; Mennucci, Benedetta; Westenhoff, Sebastian; Maj, Michał
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.
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.
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
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.
Trajectory Surface Hopping for a Polarizable Embedding QM/MM Formulation
2022-01-01 Bondanza, M.; Demoulin, B.; Lipparini, F.; Barbatti, M.; Mennucci, B.
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.
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes | 1-gen-2024 | Sauer, Paul V.; Cupellini, Lorenzo; Sutter, Markus; Bondanza, Mattia; Agustina Domínguez Martin, María; Kirst, Henning; Bína, David; Fujiet Koh, Adrian; Kotecha, Abhay; Greber, Basil J.; Nogales, Eva; Polívka, Tomáš; Mennucci, Benedetta; Kerfeld, Cheryl A. | |
| The nature of carotenoid S* state and its role in the nonphotochemical quenching of plants | 1-gen-2024 | Accomasso, Davide; Londi, Giacomo; Cupellini, Lorenzo; Mennucci, Benedetta | |
| The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics | 1-gen-2024 | Bondanza, Mattia; Nottoli, Tommaso; Nottoli, Michele; Cupellini, Lorenzo; Lipparini, Filippo; Mennucci, Benedetta | |
| Ultrafast excited-state dynamics of Luteins in the major light-harvesting complex LHCII | 1-gen-2024 | Pedraza-González, Laura; Accomasso, Davide; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta | |
| Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine | 1-gen-2024 | Moscato, D.; Mandelli, G.; Bondanza, M.; Lipparini, F.; Conte, R.; Mennucci, B.; Ceotto, M. | |
| 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 | |
| Origin of Low-Lying Red States in the Lhca4 Light-Harvesting Complex of Photosystem I | 1-gen-2023 | Slama, V.; Cupellini, L.; Mascoli, V.; Liguori, N.; Croce, R.; Mennucci, B. | |
| Deciphering Photoreceptors Through Atomistic Modeling from Light Absorption to Conformational Response | 1-gen-2023 | Salvadori, Giacomo; Mazzeo, Patrizia; Accomasso, Davide; Cupellini, Lorenzo; Mennucci, Benedetta | |
| How the pH Controls Photoprotection in the Light-Harvesting Complex of Mosses | 1-gen-2023 | Pedraza-González, Laura; Cignoni, Edoardo; D'Ascenzi, Jacopo; 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. | |
| How orange carotenoid protein controls the excited state dynamics of canthaxanthin | 1-gen-2023 | Arcidiacono, A.; Accomasso, D.; Cupellini, L.; Mennucci, B. | |
| Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes | 1-gen-2023 | Cignoni, Edoardo; Cupellini, Lorenzo; Mennucci, Benedetta | |
| Ground-state heterogeneity and vibrational energy redistribution in bacterial phytochrome observed with femtosecond 2D IR spectroscopy | 1-gen-2023 | Chenchiliyan, Manoop; Kübel, Joachim; Ooi, Saik Ann; Salvadori, Giacomo; Mennucci, Benedetta; Westenhoff, Sebastian; Maj, Michał | |
| 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. | |
| 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. | |
| 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 | |
| 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. | |
| Trajectory Surface Hopping for a Polarizable Embedding QM/MM Formulation | 1-gen-2022 | Bondanza, M.; Demoulin, B.; Lipparini, F.; Barbatti, M.; Mennucci, B. | |
| 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. |
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