Nature of the ring-closure process along the rearrangement of octa-1, 3, 5, 7-tetraene to cycloocta-1, 3, 5-triene from the perspective of the electron localization function and catastrophe theory.
Juan AndrésSlawomir BerskiLuis R. DomingoPatricio González-NavarretePublished in: J. Comput. Chem. (2012)