The 16-bp sequence was chosen as it features two alternating 6-bp dG-dC blocks, conferring rigidity to the structure and being representative of experimental choices. In addition, four nucleobases is usually considered as the upper scale limit for spin density delocalization. . By tuning our QM/MM partition to include either only one (1T) or the four consecutive thymines (4T) we may systematically assess delocalization and polarization e↵ects on the energy of the triplet state. Of note, the choice of running QM/MM-MD simulations also provides us with the possibility to assess the influence of DNA flexibility on the dispersion of the triplet energy levels, hence bridging the gap with the macroscopic and averaged experimental determinations.