| A QM/MM approach using the AMOEBA polarizable embedding: from ground state energies to electronic excitations D Loco, É Polack, S Caprasecca, L Lagardère, F Lipparini, JP Piquemal, ... Journal of Chemical Theory and Computation 12 (8), 3654-3661, 2016 | 187 | 2016 |
| Hybrid QM/MM molecular dynamics with AMOEBA polarizable embedding D Loco, L Lagardère, S Caprasecca, F Lipparini, B Mennucci, ... Journal of chemical theory and computation 13 (9), 4025-4033, 2017 | 109 | 2017 |
| Toward a unified modeling of environment and bridge-mediated contributions to electronic energy transfer: a fully polarizable QM/MM/PCM approach S Caprasecca, C Curutchet, B Mennucci Journal of Chemical Theory and Computation 8, 4462-4473, 2012 | 86 | 2012 |
| Geometry optimization in polarizable QM/MM models: the induced dipole formulation S Caprasecca, S Jurinovich, L Viani, C Curutchet, B Mennucci Journal of Chemical Theory and Computation 10 (4), 1588-1598, 2014 | 78 | 2014 |
| 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 |
| Achieving Linear Scaling in Computational Cost for a Fully Polarizable MM/Continuum Embedding S Caprasecca, S Jurinovich, L Lagardère, B Stamm, F Lipparini Journal of Chemical Theory and Computation 11 (2), 694-704, 2015 | 65 | 2015 |
| Electron attachment to molecules in a cluster environment II Fabrikant, S Caprasecca, GA Gallup, JD Gorfinkiel Journal of Chemical Physics 136 (18), 4301, 2012 | 38 | 2012 |
| 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 |
| Combined experimental and theoretical study of efficient and ultrafast energy transfer in a molecular dyad M Di Donato, A Iagatti, A Lapini, P Foggi, S Cicchi, L Lascialfari, S Fedeli, ... The Journal of Physical Chemistry C 118 (41), 23476-23486, 2014 | 33 | 2014 |
| On the description of the environment polarization response to electronic transitions CA Guido, S Caprasecca International Journal of Quantum Chemistry 119 (1), e25711, 2019 | 32 | 2019 |
| Coupling real-time time-dependent density functional theory with polarizable force field G Donati, A Wildman, S Caprasecca, DB Lingerfelt, F Lipparini, ... The Journal of Physical Chemistry Letters 8 (21), 5283-5289, 2017 | 32 | 2017 |
| Theoretical investigation of the mechanism and dynamics of intramolecular coherent resonance energy transfer in soft molecules: A case study of dithia-anthracenophane L Yang, S Caprasecca, B Mennucci, S Jang Journal of the American Chemical Society 132 (47), 16911-16921, 2010 | 30 | 2010 |
| Excited-state gradients in polarizable QM/MM models: an induced dipole formulation MFSJ Menger, S Caprasecca, B Mennucci Journal of Chemical Theory and Computation 13 (8), 3778-3786, 2017 | 28 | 2017 |
| Photoprotection and triplet energy transfer in higher plants: the role of electronic and nuclear fluctuations L Cupellini, S Jurinovich, IG Prandi, S Caprasecca, B Mennucci Physical Chemistry Chemical Physics 18 (16), 11288-11296, 2016 | 27 | 2016 |
| Multiple scattering approach to elastic electron collisions with molecular clusters S Caprasecca, JD Gorfinkiel, D Bouchiha, LG Caron Journal of Physics B: Atomic, Molecular and Optical Physics 42 (9), 095205, 2009 | 24 | 2009 |
| Plasmon enhanced light harvesting: Multiscale modeling of the FMO protein coupled with gold nanoparticles O Andreussi, S Caprasecca, L Cupellini, I Guarnetti-Prandi, CA Guido, ... The Journal of Physical Chemistry A 119 (21), 5197-5206, 2015 | 23 | 2015 |
| Excitation energy transfer in donor-bridge-acceptor systems: A combined quantum-mechanical/classical analysis of the role of the bridge and the solvent S Caprasecca, B Mennucci The Journal of Physical Chemistry A 118 (33), 6484-6491, 2014 | 23 | 2014 |
| Control of Coherences and Optical Responses of Pigment–Protein Complexes by Plasmonic Nanoantennae S Caprasecca, CA Guido, B Mennucci The Journal of Physical Chemistry Letters 7 (12), 2189-2196, 2016 | 16 | 2016 |
| Shaping excitons in light-harvesting proteins through nanoplasmonics S Caprasecca, S Corni, B Mennucci Chemical science 9 (29), 6219-6227, 2018 | 14 | 2018 |
Benedetta MennucciDepartment of Chemistry, University of PisaDirección de correo verificada de dcci.unipi.it