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.
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. This record was last updated on 07/05/2016 and may not reflect the most current and accurate biomedical/scientific data available from NLM. The corresponding record at NLM can be accessed at https://www.ncbi.nlm.nih.gov/pubmed/25753949