The NEA phosphorescence spectrum of BA and derivatives is shown in Figure . For MeBA and MoBA, we computed the spectrum at the two T1 minima, but only the one at the 3 n* minimum is given in the figure. The other gives similar results, as we shall discuss. The integral of these spectra [Eq. ( )] yields the phosphorescence lifetimes, which are collected in Table . The vertical phosphorescence lifetimes, computed for the T1 minimum geometry with Eq. ( ), are also reported in the table. Experimental results for BA from Ref. normalized to have the same area as the simulation.