Caprasecca S - Search Results

1

Excitation energy transfer in donor-bridge-acceptor systems: a combined quantum-mechanical/classical analysis of the role of the bridge and the solvent.

Caprasecca S, Mennucci B. Caprasecca S, et al. J Phys Chem A. 2014 Aug 21;118(33):6484-91. doi: 10.1021/jp502815r. Epub 2014 May 6. J Phys Chem A. 2014. PMID: 24766609

2

Quantum mechanical study of the solvent-dependence of electronic energy transfer rates in a Bodipy closely-spaced dyad.

Caprasecca S, Curutchet C, Mennucci B. Caprasecca S, et al. Photochem Photobiol Sci. 2011 Oct;10(10):1602-9. doi: 10.1039/c1pp05141e. Epub 2011 Jul 20. Photochem Photobiol Sci. 2011. PMID: 21776509

3

Plasmon enhanced light harvesting: multiscale modeling of the FMO protein coupled with gold nanoparticles.

Andreussi O, Caprasecca S, Cupellini L, Guarnetti-Prandi I, Guido CA, Jurinovich S, Viani L, Mennucci B. Andreussi O, et al. Among authors: caprasecca s. J Phys Chem A. 2015 May 28;119(21):5197-206. doi: 10.1021/jp509870b. Epub 2014 Dec 5. J Phys Chem A. 2015. PMID: 25419640

4

Photoprotection and triplet energy transfer in higher plants: the role of electronic and nuclear fluctuations.

Cupellini L, Jurinovich S, Prandi IG, Caprasecca S, Mennucci B. Cupellini L, et al. Among authors: caprasecca s. Phys Chem Chem Phys. 2016 Apr 28;18(16):11288-96. doi: 10.1039/c6cp01437b. Phys Chem Chem Phys. 2016. PMID: 27052105

5

Control of Coherences and Optical Responses of Pigment-Protein Complexes by Plasmonic Nanoantennae.

Caprasecca S, Guido CA, Mennucci B. Caprasecca S, et al. J Phys Chem Lett. 2016 Jun 16;7(12):2189-96. doi: 10.1021/acs.jpclett.6b00828. Epub 2016 May 27. J Phys Chem Lett. 2016. PMID: 27223268

6

An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence.

Cupellini L, Jurinovich S, Campetella M, Caprasecca S, Guido CA, Kelly SM, Gardiner AT, Cogdell R, Mennucci B. Cupellini L, et al. Among authors: caprasecca s. J Phys Chem B. 2016 Nov 10;120(44):11348-11359. doi: 10.1021/acs.jpcb.6b06585. Epub 2016 Oct 28. J Phys Chem B. 2016. PMID: 27791372

7

Coupling Real-Time Time-Dependent Density Functional Theory with Polarizable Force Field.

Donati G, Wildman A, Caprasecca S, Lingerfelt DB, Lipparini F, Mennucci B, Li X. Donati G, et al. Among authors: caprasecca s. J Phys Chem Lett. 2017 Nov 2;8(21):5283-5289. doi: 10.1021/acs.jpclett.7b02320. Epub 2017 Oct 13. J Phys Chem Lett. 2017. PMID: 28994290

8

Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation.

Caprasecca S, Jurinovich S, Viani L, Curutchet C, Mennucci B. Caprasecca S, et al. J Chem Theory Comput. 2014 Apr 8;10(4):1588-98. doi: 10.1021/ct500021d. J Chem Theory Comput. 2014. PMID: 26580371

9

Toward a Unified Modeling of Environment and Bridge-Mediated Contributions to Electronic Energy Transfer: A Fully Polarizable QM/MM/PCM Approach.

Caprasecca S, Curutchet C, Mennucci B. Caprasecca S, et al. J Chem Theory Comput. 2012 Nov 13;8(11):4462-73. doi: 10.1021/ct300620w. Epub 2012 Oct 4. J Chem Theory Comput. 2012. PMID: 26605606

10

A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations.

Loco D, Polack É, Caprasecca S, Lagardère L, Lipparini F, Piquemal JP, Mennucci B. Loco D, et al. Among authors: caprasecca s. J Chem Theory Comput. 2016 Aug 9;12(8):3654-61. doi: 10.1021/acs.jctc.6b00385. Epub 2016 Jul 11. J Chem Theory Comput. 2016. PMID: 27340904

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