Mechanisms of Laser-Induced Reactions of Stacked Benzene Molecules: A Semiclassical Dynamics Simulation and CASSCF Calculation
Figure 9
Comparison between the C5–C6–C1–C2 and dihedral angles and the energy gap between the HOMO and LUMO of two stacked benzene molecules: (a) Case 1 and (b) Case 2.
