Predicting the Outcome of Photocyclisation Reactions: A Joint Experimental and Computational Investigation - Wonanke, A. D. Dinga; Ferguson, Jayne L.; Fitchett, Christopher M.; Crittenden, Deborah L. (Chemistry, an Asian journal, 2019)
Keywords: ab initio calculations; Aromatic compounds; Charge distribution; Chemistry; Computation; Functional groups; Indoles; Mathematical models; oxidative cyclodehydrogenation; Photochemical reactions; photocyclization; Photoexcitation; photoplanarization; Pyrroles; reactivity predictor; Substitution reactions; ab initio calculations; reactivity predictor; photoplanarization; oxidative cyclodehydrogenation; photocyclization