Research Article
Mechanisms of Laser-Induced Reactions of Stacked Benzene Molecules: A Semiclassical Dynamics Simulation and CASSCF Calculation
Figure 3
Snapshots taken from the simulation of two stacked benzene molecules at (a) 0, (b) 300, (c) 700, (d) 740, (e) 770, and (f) 1000 fs. The molecule at the top is subjected to the irradiation of a 25 fs (fwhm) laser pulse with a fluence of 40.49 J·m−2 and photon energy of 4.7 eV. This trajectory leads to the formation of cyclobutane benzene dimer and is briefly defined as Case 1.
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