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Stefano Caprasecca
Stefano Caprasecca
Verizon Connect
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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
1722016
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
1022017
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
852012
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
742014
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
692018
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
692016
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
602015
Electron attachment to molecules in a cluster environment
II Fabrikant, S Caprasecca, GA Gallup, JD Gorfinkiel
Journal of Chemical Physics 136 (18), 4301, 2012
382012
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
332016
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
322014
On the description of the environment polarization response to electronic transitions
CA Guido, S Caprasecca
International Journal of Quantum Chemistry 119 (1), e25711, 2019
312019
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
302010
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
282017
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
272017
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
242016
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
242009
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
222015
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
222014
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
142016
Theoretical description of protein field effects on electronic excitations of biological chromophores
D Varsano, S Caprasecca, E Coccia
Journal of Physics: Condensed Matter 29 (1), 013002, 2016
132016
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