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对富勒烯的价π轨道成键和无π轨道自由基进行了理论研究，得到内接和外接一种和多种金属富勒烯的各种可能对称性和结构．除了C60（Ih）、C34（C3v）和C28（Td）外，我们还研究了C33（C3）、C56（Td）和C68（Td）．这样的价键观点将为分子轨道计算以及分子构件配置的相反观点提供新的见解．
Theoretical studies on valence π orbital bonding and non-π orbital free radicals of fullerenes have been carried out to obtain various possible symmetries and structures for the internal and external fullerenes of one or more metals. In addition to C60 (Ih), C34 (C3v) and C28 (Td), we also studied C33 (C3), C56 (Td) and C68 (Td). Such a valence point view will provide new insight into the opposite viewpoints of molecular orbital calculations and molecular configuration.