title: The 9-homocubyl cation rearrangement revisited.
abstract: Complexity of the potential energy surface of the 9-homocubyl cation is revealed by Born-Oppenheimer molecular dynamics simulations and high ab initio levels. The stereospecific automerizations observed experimentally involve bridged ions, which have either an aromatic or an anti-aromatic character. New pathways leading to more stable isomers are unveiled.
authors.affiliation: Departamento de Física Aplicada, Centro de Investigación y de Estudios Avanzados, Unidad Mérida. Km 6 Antigua Carretera a Progreso. Apdo. Postal 73, Cordemex, 97310, Mérida, Yuc., México. gmerino@mda.cinvestav.mx mfernandez@mda.cinvestav.mx.
authors.forename: Said
authors.initials: S
authors.lastname: Jalife
authors.forename: Judy I-Chia
authors.initials: JI
authors.lastname: Wu
authors.forename: Gerardo
authors.initials: G
authors.lastname: Martínez-Guajardo
authors.forename: Paul
authors.initials: P
authors.lastname: von Ragué Schleyer
authors.forename: María A
authors.initials: MA
authors.lastname: Fernández-Herrera
authors.forename: Gabriel
authors.initials: G
authors.lastname: Merino