JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol.134, no.35, pp.14624-14631, 2012 (SCI-Expanded)
Article / Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Science Citation Index Expanded (SCI-EXPANDED), Scopus
Middle East Technical University Affiliated:
Of the five small biradicaloid heterocycles whose S-1, S-2, T-1, and T-2 adiabatic excitation energies were examined by the CASPT2/ANO-L-VTZP method, two have been found to meet the state energy criterion for efficient e singlet fission and are recommended to the attention of synthetic chemists and photophysicists.