Nonadiabatic Dynamics of Cycloparaphenylenes with TD-DFTB Surface Hopping

Nonadiabatic Dynamics of Cycloparaphenylenes with TD-DFTB Surface Hopping

Ljiljana Stojanovic, Saadullah G. Aziz, Rifaat H. Hilal, Felix Plasser, Thomas A. Niehaus, Mario Barbatti
Journal of Chemical Theory and Computation, 13 5846–5860 (2017)