Research | Funded Projects

DINAMICA DEL TRASPORTO DI CARICA NEL DNA OSSIDATO E NEI MATERIALI PER APPLICAZIONI ELETTRO-OTTICHE

1) Velardo Amalia, Borrelli Raffaele, Capobianco Amedeo, La Rocca Mario Vincenzo, Peluso Andrea* (2015). First Principle Analysis of Charge Dissociation and Charge Recombination Processes in Organic Solar Cells. JOURNAL OF PHYSICAL CHEMISTRY. C, NANOMATERIALS AND INTERFACES, vol. 119, p.18870-18876, ISSN: 1932-7447, doi: 10.1021/acs.jpcc.5b040382) Capobianco A*, Caruso T, Peluso A* (2015). Hole delocalization over adenine tracts in single stranded DNA oligonucleotides. PHYSICAL CHEMISTRYCHEMICAL PHYSICS, vol. 17, p. 4750-4756, ISSN: 1463-9076, doi: 10.1039/c4cp04282d3) Meninno Sara, Capobianco Amedeo, Peluso Andrea, Lattanzi* Alessandra (2015). One-pot highly diastereoselective annulation to N-unprotected tetrasubstituted2-pyrrolines. GREEN CHEMISTRY, vol. 17, p. 2137-2140, ISSN: 1463-9262, doi: 10.1039/C4GC02191F4) Borrelli Raffaele, Capobianco Amedeo, Landi Alessandro, Peluso* Andrea (2015). Vibronic couplings and coherent electron transfer in bridged systems.PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 17, p. 30937-30945, ISSN: 1463-9084, doi: 10.1039/c5cp01190f5) Borrelli, R., Peluso, A. (2015). Quantum dynamics of radiationless electronic transitions including normal modes displacements and Duschinsky rotations: Asecond-order cumulant approach. Journal of Chemical Theory and Computation, 11(2), 415-422.ISSN:15499626,DOI:10.1021/ct500966c6) A. velardo, R. Borrelli, A. Peluso, A. Capobianco* (2016). First-principle calculations of the band shapes of singlet-triplet transitions. JOURNAL OF PHYSICAL CHEMISTRY. C, NANOMATERIALS AND INTERFACES, vol. 120, p.24605-24614, ISSN: 1932-7447, doi: 10.1021/acs.jpcc.6b07709 -------a) misure voltammetricheb) caratterizzazioni NMR e CDc) misure spettro-elettrochimiched) calcoli DFT e QM/MM per stimare gli accoppiamenti elettronicie) calcolo di dinamica quantistica per stimare le probabilità di transizione, i tempi di vita medi e le costanti di velocità