On electronic states and bond lengths of
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Masa-aki Ozaki; Akira Taahashi
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Article
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1986
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Elsevier Science
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English
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The electronic states and the bond lengths of the truncated icosahedral C,, molecule have been calculated by the Htickel and Coulson-Golebiewski self-consistent Htickel methods. C,, has a stable closed shell with a rather big energy gap ( = 0.847 p) between the HOMO and the LUMO. We have obtained tw