Table 2.

Simulated time constants for nucleobases in gas phase and corresponding fraction of trajectories deactivating through different mechanisms

	Window	τ1, ps	f1, %	τ2, ps	f2, %	τ3, ps	f3, %
Ade	L (“267”)			0.77	100
	C (“250”)			0.63	100
	H			0.44	100
Gua	C (“267”)			0.28	100
Thy	L (“267”)					> 1.7*
	H (“250”)					> 2.3*
Ura	L (“267”)			0.74	23	> 1.8*	77
	H (“250”)			0.65	45	> 1.5*	55
Cyt	C (“267”)	0.01	13	0.53	74	3.08	13

L, C, and H stand for low-, center-, and high-energy window in the initial conditions, whose technical definitions are given in SI Text.

^*S₂ → S₁ decay time.