title: Uthrene, a radically new molecule?
abstract: We have studied uthrene with a large range of quantum chemical models. Uthrene is predicted to be naturally twisted and to possess a triplet ground state, making it the smallest non-planar polycyclic biradical that can be derived from graphene.
authors.affiliation: Centro ALGORITMI, Universidade do Minho, 4710-057 Braga, Portugal. manuelmelle.research@gmail.com.
authors.forename: Manuel
authors.initials: M
authors.lastname: Melle-Franco