title: Gas-phase electrophilic aromatic substitution mechanism with strong electrophiles explained by ab initio non-adiabatic dynamics.
abstract: Ab initio non-adiabatic dynamics is used to monitor the attack of CH3(+) to benzene. The results show that in the gas phase the reaction is ultrafast and is governed by a single electron transfer producing a radical pair.
authors: Institute of Theoretical Chemistry, University of Vienna, Währinger Straße 17, 1090 Vienna, Austria. leticia.gonzalez@univie.ac.at.
authors: Daniel
authors: D
authors: Kinzel
authors: Shmuel
authors: S
authors: Zilberg
authors: Leticia
authors: L
authors: González