Radical character of non-IPR isomer 17418 (C1) of fullerene C76: Fullerenes, Nanotubes and Carbon Nanostructures: Vol 0, No 0

Summary Utilizing a theoretical method supported by DFT calculations, the options of molecular construction of isomer 17418 (C1) of fullerene C76 with the distribution of single, double and delocalized π-bonds has been decided for the primary time. It’s proven the unconventional nature along with the well-known overstrain resulting from pentalene fragment are the explanations for … Read more