Diradical Character of the Bond Breaking in the Reaction of Br2 with Benzene: Reliable Barriers Using the CR-CC(2,3) Method

Publication date: Available online 2 February 2021Source: Computational and Theoretical ChemistryAuthor(s): Josefredo R. Pliego

Source: Computational and Theoretical Chemistry - February 2, 2021 Category: Chemistry Source Type: research