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Risultati 1 - 20 di 59 (tempo di esecuzione: 0.029 secondi).
Titolo Data di pubblicazione Autore(i) File
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.
A fast method for electronic couplings in embedded multichromophoric systems 1-gen-2022 Cignoni, Edoardo; Cupellini, Lorenzo; Mennucci, Benedetta
A polarisable QM/MM description of NMR chemical shifts of a photoreceptor protein 1-gen-2020 Hashem, S.; Cupellini, L.; Lipparini, F.; Mennucci, B.
A polarizable QM/MM description of environment effects on NMR shieldings: from solvated molecules to pigment–protein complexes 1-gen-2018 Caprasecca, Stefano; Cupellini, Lorenzo; Jurinovich, Sandro; Loco, Daniele; Lipparini, Filippo; Mennucci, Benedetta
A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes 1-gen-2017 Segatta, Francesco; Cupellini, Lorenzo; Jurinovich, Sandro; Mukamel, Shaul; Dapor, Maurizio; Taioli, Simone; Garavelli, Marco; Mennucci, Benedetta
A synthetic oxygen sensor for plants based on animal hypoxia signaling 1-gen-2019 Iacopino, S.; Jurinovich, S.; Cupellini, L.; Piccinini, L.; Cardarelli, F.; Perata, P.; Mennucci, B.; Giuntoli, B.; Licausi, F.
A synthetic oxygen sensor for plants based on animal hypoxia signalling 1-gen-2019 Iacopino, Sergio; Jurinovich, Sandro; Cupellini, Lorenzo; Piccinini, Luca; Cardarelli, Francesco; Perata, Pierdomenico; Mennucci, Benedetta; Giuntoli, Beatrice; Licausi, Francesco
A Unique and Stable Polyproline I Helix Sorted out from Conformational Equilibrium by Solvent Polarity 1-gen-2022 Pollastrini, Matteo; Pasquinelli, Luca; Górecki, Marcin; Balzano, Federica; Cupellini, Lorenzo; Lipparini, Filippo; Uccello Barretta, Gloria; Marchetti, Fabio; Pescitelli, Gennaro; Angelici, Gaetano
A ΔSCF model for excited states within a polarisable embedding 1-gen-2022 Nottoli, M.; Mazzeo, P.; Lipparini, F.; Cupellini, L.; Mennucci, B.
Absorption and Circular Dichroism Spectra of Molecular Aggregates With the Full Cumulant Expansion 1-gen-2020 Cupellini, Lorenzo; Lipparini, Filippo; Cao, Jianshu
An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence 1-gen-2016 Cupellini, Lorenzo; Jurinovich, Sandro; Campetella, Marco; Caprasecca, Stefano; Guido, Ciro Achille; Kelly, Sharon M; Gardiner, Alastair T; Cogdell, Richard; Mennucci, Benedetta
Atomic Detail of Protein Folding Revealed by an Ab Initio Reappraisal of Circular Dichroism 1-gen-2018 Ianeselli, Alan; Orioli, Simone; Spagnolli, Giovanni; Faccioli, Pietro; Cupellini, Lorenzo; Jurinovich, Sandro; Mennucci, Benedetta
Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants 1-gen-2020 Cupellini, Lorenzo; Calvani, Dario; Jacquemin, Denis; Mennucci, Benedetta
Coherence in carotenoid-to-chlorophyll energy transfer 1-gen-2018 Meneghin, Elena; Volpato, Andrea; Cupellini, Lorenzo; Bolzonello, Luca; Jurinovich, Sandro; Mascoli, Vincenzo; Carbonera, Donatella; Mennucci, Benedetta; Collini, Elisabetta
Combined spectroscopic and theoretical analysis of the binding of a water-soluble perylene diimide to DNA/RNA polynucleotides and G-quadruplexes 1-gen-2021 Macii, F.; Cupellini, L.; Stifano, M.; Santolaya, J.; Perez-Arnaiz, C.; Pucci, A.; Barone, G.; Garcia, B.; Busto, N.; Biver, T.
Computational Investigation of Structural and Spectroscopic Properties of LOV-Based Proteins with Improved Fluorescence 1-gen-2021 Cardoso Ramos, Felipe; Cupellini, Lorenzo; Mennucci, Benedetta
Coupling to Charge Transfer States is the Key to Modulate the Optical Bands for Efficient Light Harvesting in Purple Bacteria 1-gen-2018 Cupellini, Lorenzo; Caprasecca, Stefano; Guido, Ciro A.; Müh, Frank; Renger, Thomas; Mennucci, Benedetta
Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models 1-gen-2018 Curutchet, Carles; Cupellini, Lorenzo; Kongsted, Jacob; Corni, Stefano; Frediani, Luca; Steindal, Arnfinn Hykkerud; Guido, Ciro A.; Scalmani, Giovanni; Mennucci, Benedetta
Efficient photoinduced charge separation in a BODIPY-C60 dyad 1-gen-2016 Iagatti, Alessandro; Cupellini, Lorenzo; Biagiotti, Giacomo; Caprasecca, Stefano; Fedeli, Stefano; Lapini, Andrea; Ussano, Eleonora; Cicchi, Stefano; Foggi, Paolo; Marcaccio, Massimo; Mennucci, Benedetta; Di Donato, Mariangela
Electron and excitation energy transfers in covalently linked donor-acceptor dyads: mechanisms and dynamics revealed using quantum chemistry 1-gen-2018 Cupellini, Lorenzo; Giannini, Samuele; Mennucci, Benedetta