Two icosahedral structures for the C60 cluster
作者： Tai-Ichi Shibuya , Masaaki Yoshitani
DOI: 10.1016/0009-2614(87)80295-6
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摘要: Abstract Two icosahedral structures, a truncated icosahedron and dodecahedron, have been examined for the C 60 cluster. Optimized geometries by INDO calculations are: in former, 1.449 A (for pentagonal edges) 1.397 A; latter, 1.41 triangular 1.345 A. At these geometries, HOMO-LUMO gaps are 9.23 8.86 eV, respectively.
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