On the basis of INDO/CI method,the electronic structures and spectra of B32 and its endohedral complexes were studied,and compared with its conjugated polyhedron of C60and its endohedral complexes.

  • 在INDO/CI方法的基础上,预测B32及其包心化合物的电子结构与光谱,并与其共轭多面体C60及其包心化合物进行了对比。
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