Iakov Polyak, Lewis Hutton, Rachel Crespo-Otero, Mario Barbatti, Peter Knowles. Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface Hopping.
Journal of Chemical Theory and Computation, American Chemical Society, 2019, 15 (7), pp.3929-3940.
⟨10.1021/acs.jctc.9b00396⟩.
⟨hal-02288616⟩