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C72: gaudiene, a hollow and aromatic all-carbon molecule
2013
Physical Chemistry, Chemical Physics - PCCP
This journal is c the Owner Societies 2013 Phys. Chem. Chem. Phys., 2013, 15, 9025--9028 9025 Cite this: Phys. Chem. Chem. Phys., 2013, 15, 9025 C 72 : gaudiene, a hollow and aromatic all-carbon molecule † Dage Sundholm* A new allotropic form of carbon is proposed. The molecular structure of a cavernous C 72 molecule has been optimized at the density functional theory level. The structure belonging to the O h point group was found to be a minimum on the potential energy surface. Current-density
doi:10.1039/c3cp51042e
pmid:23644573
fatcat:xl4y4ttlknaethkhkjfcrj2sfa