Quantum chemistry calculations of nitrogen cages N10

Since the carbon cage fullerence C60 was found in 1985, people have tried hard to synthesize not only new species of fullerences but also other element cages, including nitrogen cages. It has been suggested that, similar to the structures of carbon cage fullerences, nitrogen atoms may also form the...

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Veröffentlicht in:中国科学通报:英文版 1996 (14), p.1184-1188
1. Verfasser: 李前树 曲红 朱鹤孙
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Sprache:eng
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Zusammenfassung:Since the carbon cage fullerence C60 was found in 1985, people have tried hard to synthesize not only new species of fullerences but also other element cages, including nitrogen cages. It has been suggested that, similar to the structures of carbon cage fullerences, nitrogen atoms may also form the same type of cage structures in which each nitrogen atom directly bonds to the other three neighboring nitrogen atoms. Recently, there have been some ab initio calculations on nitrogen cage structures, such as N4, N6, N8 and N20. Based on those studies, in this work, a set of ab initio calculations on the
ISSN:2095-9273