Favorable structures for higher fullerenes
作者： X. Liu , T.G. Schmalz , D.J. Klein
DOI: 10.1016/0009-2614(92)80864-8
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摘要: A study is made of elemental carbon cages corresponding to polyhedra with hexagonal and pentagonal faces such that no two pentagons abut. All preferable up ν=94 vertices are generated, simple Huckel MO resonance-theoretic computations made. The graphical structures more favored by these reported for the experimentally relevant vertex (or atomic) counts ν=60, 70, 76, 78, 84, 90. NMR line patterns favorable also given.
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