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MENNUCCI, BENEDETTA  

DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE  

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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.
Deciphering Photoreceptors Through Atomistic Modeling from Light Absorption to Conformational Response 1-gen-2023 Salvadori, Giacomo; Mazzeo, Patrizia; Accomasso, Davide; Cupellini, Lorenzo; Mennucci, Benedetta
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.
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
How orange carotenoid protein controls the excited state dynamics of canthaxanthin 1-gen-2023 Arcidiacono, A.; Accomasso, D.; Cupellini, L.; Mennucci, B.
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
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
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.
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