Atlas of kekulé valence structures of buckminsterfullerene
Atlas of kekulé valence structures of buckminsterfullerene
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发表时间：
2005-06
影响因子：
0.3
通讯作者：
D. Vukičević;H. Kroto;M. Randic
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作者：
D. Vukičević;H. Kroto;M. Randic
Buckminsterfullerene C6 0的12，500个Kekule价结构中只有158个是对称的，它们的形式和特征表现出很大的变化。我们展示了所有158个对称的不同的凯库勒价结构，这些结构根据它们的固有自由度（df）进行了分类，从df = 10到df = 5的最大值。最重要和唯一的凯库勒价结构，其中CC双键是环外的五边形面属于df = 10，而有36个对称的不同的凯库勒结构与df = 5。
The 12,500 Kekule valence structures of Buckminsterfullerene C 6 0 , of which only 158 are symmetry distinct, show large variation in their forms and characteristics. We display all 158 symmetry distinct Kekule valencestructures which have been classified according to their innate degree of freedom (df), which varies from the maximal value of df = 10 to df = 5. The most important and unique Kekule valence structure in which CC double bonds are exocyclic to pentagonal faces belongs to df = 10, while there are 36 symmetry distinct Kekule structures associated with df = 5.