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dc.contributor.authorLin, MH
dc.contributor.author林梦海
dc.contributor.authorChiu, YN
dc.contributor.authorLai, ST
dc.contributor.authorXiao, JM
dc.contributor.authorFu, MZ
dc.date.accessioned2012-08-03T01:08:38Z
dc.date.available2012-08-03T01:08:38Z
dc.date.issued2003-12-08
dc.identifier.citationJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM,1998,422:57-67zh_CN
dc.identifier.issn0166-1280
dc.identifier.urihttp://dx.doi.org/10.1016/S0166-1280(97)00088-2
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/13400
dc.description.abstract14 systems of metal atoms, embedded inside the C-32 cage, have been calculated and analyzed using the ab initio quantum chemistry Gamess program. We study their electronic structure, compare their stability. The metal atom with even electrons interjected inside the C-32 cage is more stable than the metal atom with odd electrons. Ti@C-32 system is the most stable in the 14 metallofullerenes. (C) 1998 Elsevier Science B.V.zh_CN
dc.language.isoenzh_CN
dc.publisherELSEVIER SCIENCE BVzh_CN
dc.subjectmetallofullereneszh_CN
dc.subjectspecial metals inside C-32zh_CN
dc.subjectab initio calculationzh_CN
dc.titleTheoretical study of metallofullerenes M@C-32zh_CN
dc.typeArticlezh_CN


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