| Polarizable embedding QM/MM: the future gold standard for complex (bio) systems? M Bondanza, M Nottoli, L Cupellini, F Lipparini, B Mennucci Physical Chemistry Chemical Physics 22 (26), 14433-14448, 2020 | 155 | 2020 |
| Quantum chemical modeling of the photoinduced activity of multichromophoric biosystems: focus review F Segatta, L Cupellini, M Garavelli, B Mennucci Chemical reviews 119 (16), 9361-9380, 2019 | 104 | 2019 |
| Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants L Cupellini, D Calvani, D Jacquemin, B Mennucci Nature communications 11 (1), 662, 2020 | 98 | 2020 |
| A quantum chemical interpretation of two-dimensional electronic spectroscopy of light-harvesting complexes F Segatta, L Cupellini, S Jurinovich, S Mukamel, M Dapor, S Taioli, ... Journal of the American Chemical Society 139 (22), 7558-7567, 2017 | 85 | 2017 |
| The role of charge-transfer states in the spectral tuning of antenna complexes of purple bacteria M Nottoli, S Jurinovich, L Cupellini, AT Gardiner, R Cogdell, B Mennucci Photosynthesis research 137, 215-226, 2018 | 78 | 2018 |
| Coupling to charge transfer states is the key to modulate the optical bands for efficient light harvesting in purple bacteria L Cupellini, S Caprasecca, CA Guido, F Müh, T Renger, B Mennucci The Journal of Physical Chemistry Letters 9 (23), 6892-6899, 2018 | 77 | 2018 |
| An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence L Cupellini, S Jurinovich, M Campetella, S Caprasecca, CA Guido, ... The Journal of Physical Chemistry B 120 (44), 11348-11359, 2016 | 74 | 2016 |
| Coherence in carotenoid-to-chlorophyll energy transfer E Meneghin, A Volpato, L Cupellini, L Bolzonello, S Jurinovich, V Mascoli, ... Nature Communications 9 (1), 3160, 2018 | 61 | 2018 |
| Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization S Giannini, WT Peng, L Cupellini, D Padula, A Carof, J Blumberger Nature Communications 13 (1), 2755, 2022 | 58 | 2022 |
| Modeling the absorption lineshape of embedded systems from molecular dynamics: A tutorial review D Loco, L Cupellini International Journal of Quantum Chemistry 119 (1), e25726, 2019 | 58 | 2019 |
| The multiple roles of the protein in the photoactivation of orange carotenoid protein M Bondanza, L Cupellini, F Lipparini, B Mennucci Chem 6 (1), 187-203, 2020 | 54 | 2020 |
| The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach D Loco, S Jurinovich, L Cupellini, MFSJ Menger, B Mennucci Photochemical & Photobiological Sciences 17, 552-560, 2018 | 52 | 2018 |
| Electronic energy transfer in biomacromolecules L Cupellini, M Corbella, B Mennucci, C Curutchet Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (2), e1392, 2019 | 48* | 2019 |
| EXAT: EXcitonic analysis tool S Jurinovich, L Cupellini, CA Guido, B Mennucci Journal of Computational Chemistry 39 (5), 279-286, 2018 | 48 | 2018 |
| The atomistic modeling of light-harvesting complexes from the physical models to the computational protocol E Cignoni, V Slama, L Cupellini, B Mennucci The Journal of Chemical Physics 156 (12), 2022 | 43 | 2022 |
| Atomic detail of protein folding revealed by an ab initio reappraisal of circular dichroism A Ianeselli, S Orioli, G Spagnolli, P Faccioli, L Cupellini, S Jurinovich, ... Journal of the American Chemical Society 140 (10), 3674-3682, 2018 | 43 | 2018 |
| Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation L Cupellini, M Bondanza, M Nottoli, B Mennucci Biochimica et Biophysica Acta (BBA)-Bioenergetics 1861 (4), 148049, 2020 | 42 | 2020 |
| Multiscale models for light-driven processes M Nottoli, L Cupellini, F Lipparini, G Granucci, B Mennucci Annual Review of Physical Chemistry 72 (1), 489-513, 2021 | 40 | 2021 |
| The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling FC Ramos, M Nottoli, L Cupellini, B Mennucci Chemical Science 10 (42), 9650-9662, 2019 | 38 | 2019 |
| Efficient Photoinduced Charge Separation in a BODIPY–C60 Dyad A Iagatti, L Cupellini, G Biagiotti, S Caprasecca, S Fedeli, A Lapini, ... The Journal of Physical Chemistry C 120 (30), 16526-16536, 2016 | 34 | 2016 |
Benedetta MennucciDepartment of Chemistry, University of Pisaایمیل تأیید شده در dcci.unipi.it
