
A new allotropic form of carbon is proposed. The molecular structure of a cavernous C72 molecule has been optimized at the density functional theory level. The structure belonging to the Oh point group was found to be a minimum on the potential energy surface. Current-density calculations show that the gaudiene molecule with formally 72 π electrons sustains strong diatropic currents when exposed to an external magnetic field.
CURRENTS, SPHERICAL AROMATICITY, BUCKMINSTERFULLERENE, FULLERENES, DERIVATIVES, CORRELATION-ENERGY, EFFICIENT IMPLEMENTATION, Chemical sciences, CURRENT DENSITIES, NMR-SPECTROSCOPY, BASIS-SETS
CURRENTS, SPHERICAL AROMATICITY, BUCKMINSTERFULLERENE, FULLERENES, DERIVATIVES, CORRELATION-ENERGY, EFFICIENT IMPLEMENTATION, Chemical sciences, CURRENT DENSITIES, NMR-SPECTROSCOPY, BASIS-SETS
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| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Top 10% | |
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