title: Role of bifurcation in the bond shifting of cyclooctatetraene.
abstract: The present study of the cyclooctatetraene potential energy surface shows the presence of a bifurcation (valley ridge inflection point) in the intrinsic reaction coordinate path between the two transition states of D(8h) and D(4h) symmetries. This result is of capital importance for the correct understanding of the bond shifting and ring inversion processes in this compound.
authors.affiliation: Departamento de Química Física, Universidad de Alcalá, 28871 Alcalá de Henares, Madrid, Spain. Obisd.castano@uah.es
authors.forename: Obis
authors.initials: O
authors.lastname: Castaño
authors.forename: Raúl
authors.initials: R
authors.lastname: Palmeiro
authors.forename: Luis Manuel
authors.initials: LM
authors.lastname: Frutos
authors.forename: José
authors.initials: J
authors.lastname: Luisandrés