Mechanisms of Laser-Induced Reactions of Stacked Benzene Molecules: A Semiclassical Dynamics Simulation and CASSCF Calculation

Figure 2

The diagrams of the (a) HOMO−1 (b), HOMO, (c) LUMO, and (d) LUMO + 1 of two stacked benzene molecules at the equilibrated geometry.

(a)

(b)

(c)

(d)