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DANNEGGIAMENTO OSSIDATIVO E TRASPORTO DI CARICA NEL DNA

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.5b04038 2) Capobianco A*, Caruso T, Peluso A* (2015). Hole delocalization over adenine tracts in single stranded DNA oligonucleotides. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 17, p. 4750-4756, ISSN: 1463-9076, doi: 10.1039/c4cp04282d 3) Meninno Sara, Capobianco Amedeo, Peluso Andrea, Lattanzi* Alessandra (2015). One-pot highly diastereoselective annulation to N-unprotected tetrasubstituted 2-pyrrolines. GREEN CHEMISTRY, vol. 17, p. 2137-2140, ISSN: 1463-9262, doi: 10.1039/C4GC02191F 4) 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/c5cp01190f 5) Borrelli*, R., Peluso, A. (2015). Quantum dynamics of radiationless electronic transitions including normal modes displacements and duschinsky rotations: A second-order cumulant approach. Journal of Chemical Theory and Computation, 11(2), 415–422.ISSN:15499626,DOI:10.1021/ct500966c 6) A. Capobianco, T. Caruso, L. Palombi*, A. Peluso* (2013). Detection of an ylide intermediate in the electrochemically-induced Stevens rearrangement of an ammonium salt by in situ UV-vis spectroelectrochemistry . ELECTROCHIMICA ACTA, vol. 92, p. 446-451, ISSN: 0013-4686, doi: 10.1016/j.electacta.2013.01.079 ------- a) misure voltammetriche b) caratterizzazioni NMR e CD c) misure spettro-elettrochimiche d) calcoli DFT e QM/MM per stimare gli accoppiamenti elettronici e) calcolo di dinamica quantistica per stimare le probabilità di transizione, i tempi di vita medi e le costanti di velocità