A quantum mechanical insight into SN2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl${}^{-}$--CH${}_3$Cl pre-reaction complex with the VENUS suite of codes

X. Ma, G. Di Liberto, R. Conte +2

The role of vibrational excitation of reactants in driving reactions involving polyatomic species has been often studied by means of classical or quasi-classical trajectory simulat…