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Titolo Data di pubblicazione Autore(i) File
Electronic Excitations in Nonpolar Solvents: Can the Polarizable Continuum Model Accurately Reproduce Solvent Effects? 1-gen-2015 Cupellini, Lorenzo; Amovilli, Claudio; Mennucci, Benedetta
Plasmon Enhanced Light Harvesting: Multiscale Modeling of the FMO Protein Coupled with Gold Nanoparticles 1-gen-2015 Andreussi, Oliviero; Caprasecca, Stefano; Cupellini, Lorenzo; GUARNETTI PRANDI, Ingrid; Guido, Ciro Achille; Jurinovich, Sandro; Viani, Lucas; Mennucci, Benedetta
Photoprotection and triplet energy transfer in higher plants: The role of electronic and nuclear fluctuations 1-gen-2016 Cupellini, Lorenzo; Jurinovich, Sandro; GUARNETTI PRANDI, Ingrid; Caprasecca, Stefano; 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
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
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
Modeling excitation energy transfer in multi-BODIPY architectures 1-gen-2017 Azarias, Cloé; Russo, Roberto; Cupellini, Lorenzo; Mennucci, Benedetta; Jacquemin, Denis
Is energy transfer limiting multiphotochromism? Answers from ab initio quantifications 1-gen-2017 Fihey, Arnaud; Russo, Roberto; Cupellini, Lorenzo; Jacquemin, Denis; 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
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
The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach 1-gen-2018 Loco, Daniele; Jurinovich, Sandro; Cupellini, Lorenzo; Menger, MAXIMILIAN FRIEDRICH SEBASTIAN JOHANNES; Mennucci, Benedetta
Modelling excitation energy transfer in covalently linked molecular dyads containing a BODIPY unit and a macrocycle 1-gen-2018 Azarias, C.; Cupellini, L.; Belhboub, A.; Mennucci, B.; Jacquemin, D
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
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
Understanding the influence of disorder on the exciton dynamics and energy transfer in Zn-phthalocyanine H-aggregates 1-gen-2018 Doria, Sandra; Lapini, Andrea; Di Donato, Mariangela; Righini, Roberto; Azzaroli, Nicolò; Iagatti, Alessandro; Caram, Justin R.; Sinclair, Timothy S.; Cupellini, Lorenzo; Jurinovich, Sandro; Mennucci, Benedetta; Zanotti, Gloria; Paoletti, Anna Maria; Pennesi, Giovanna; Foggi, Paolo
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
The role of charge-transfer states in the spectral tuning of antenna complexes of purple bacteria 1-gen-2018 Nottoli, Michele; Jurinovich, Sandro; Cupellini, Lorenzo; Gardiner, Alastair T.; Cogdell, Richard; Mennucci, Benedetta
EXAT: EXcitonic analysis tool 1-gen-2018 Jurinovich, Sandro; Cupellini, Lorenzo; Guido, Ciro A.; Mennucci, Benedetta
Frenkel-exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systems 1-gen-2018 Shiraogawa, Takafumi; Ehara, Masahiro; Jurinovich, Sandro; Cupellini, Lorenzo; 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
Mostra risultati da 1 a 20 di 87
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