In the present work, we report nonadiabatic, surface hopping molecular dynamics simulations for Ama + and Ada-CN + -the derivatives of Ada + , containing an electron donating (NH 2 ) and an electron withdrawing (CN) groups, respectively. This way, systematic trends of replacing H with electron donors or acceptors on internal conversion and fragmentation dynamics can be evaluated. We also present vibrationally resolved absorption spectra of both cations computed under the vertical gradient approximation (described in the next section). The predicted spectra and observed ultrafast processes are compared for the two derivatives and also with the findings obtained for Ada + in our previous work .