Curutchet Barat, Carles E.Voityuk, Alexander A.2021-03-222021-03-222011-02-181433-7851https://hdl.handle.net/2445/175477Triplet-triplet electronic energy transfer in polyA-polyT DNA sequences was studied by using semiempirical quantum-chemical methods coupled to classical molecular-dynamics simulations. Triplet excited states in DNA were found to be almost completely localized on single nucleobases; the characteristic time for their migration along the A-A and T-T stacks (see picture) was found to be 0.8 and 6.4 ns.3 p.application/pdfeng(c) Wiley-VCH, 2011Transferència d'energiaADNCàlculs numèricsEnergy transferDNANumerical calculationsinfo:eu-repo/semantics/article6189092021-03-22info:eu-repo/semantics/openAccess