Analysis of the magic numbers observed for metallocarbohedrane clusters
作者： Tapio T. Rantala , Daniel A. Jelski , James R. Bowser , Xinfu Xia , Thomas F. George
DOI: 10.1007/BF01425682
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摘要: A local-density approximation calculation is performed on various M8C12 structures, including Ti8C12, V8C12, VTi7C12 and ScTi7C12. It found that the magic numbers observed during experimental discovery of these species does not depend details electronic structure, but rather can be described as a chemical system derived from ethylene.
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