Localized and delocalized perfluorosemibullvalenes
Localized and delocalized perfluorosemibullvalenes is a scholarly work, published in 2006 in ''Journal of Molecular Modeling''. The main subjects of the publication include substituent group, atomic physics, noble gas compound, degenerate energy level, chemistry, delocalized electron, energy, density functional theory, condensed matter physics, rotational spectroscopy, physics, and glossary of archaeology. On the basis of the experimental Gibbs free-energy barrier of the degenerate Cope arrangement in semibullvalene, B3P86 shows the best agreement, while B3LYP and MP2 underestimate and CCSD(T) overestimates the barrier.