THE FRONTIER ORBITALS OF BUCKMINSTERFULLERENE C60

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作者：
Ji Min YAN
Xue Qi YI Institute of Chemistry. Academia Sinica
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来源：
Chinese Chemical Letters | 1992年 / 06期
关键词：
THE FRONTIER ORBITALS OF BUCKMINSTERFULLERENE C; HOMO; Pt;
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摘要：
The frontier orbitals HOMO and LUMO of the fullerene C;hasbeen given in a system of 60 motion-coordinates, of which each origin is ateach C atom of fullerene C;and each z-axis is in the directionperpendicular to C;’S spherical surface. In this motion-coordinate systemthe HOMO and LUMO of fullerene C;obviously display characteristics ofspherical n-molecular orbitals π;. The Fenske-Hall quantum-chemical methodis used in calculation for the electronic structure of the fullerene C;.
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页码：445 / 448
页数：4
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