The electronic structures of biradicals
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Kizashi Yamaguchi
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Article
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1975
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Elsevier Science
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English
โ 523 KB
The electronic structures of bi.rsdica!s are investigated by the unrestricted h'~trec-Fock (UHF) method and explained in terms of spin density wave (SDW) orbitals. The blrodiclii characters arc calculated by the USC of the occupation numbers of ?hl: natural orbit& in the SDW configuration. The resul