Yu, Li-Juan; Sarrami, Farzaneh; O’Reilly, Robert J.; Karton, Amir
(Chemical Physics, 2015-09-08)
Abstract We introduce a database of 20 accurate cycloreversion barrier heights of 5-membered heterocyclic rings (to be known as the CRBH20 database). In these reactions, dioxazole and oxathiazole rings are fragmented to ...