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Quantum chemistry study on B32and B32H2–32

 

作者: Gu Feng‐Long,   Li Qian‐Shu,   Tang Au‐Chin,  

 

期刊: Chinese Journal of Chemistry  （WILEY Available online 1996）
卷期: Volume 14, issue 1  

页码: 14-19

 

ISSN:1001-604X

 

年代: 1996

 

DOI:10.1002/cjoc.19960140104

 

出版商: Wiley‐VCH Verlag GmbH&Co. KGaA

 

关键词: Ab initiocalculation;B32and B32H2–32

 

数据来源: WILEY

 

摘要:

AbstractThe structures of B32 and B32H2–32withIhsymmetry have been investigated by means ofab initiocalculations at STO‐3G level. The relationship between molecular orbitals of them has been analyzed and their bonding properties have been discussed. Then the possibility of their existence, as well as the similarity and difference between B32(B32H2–32) and C60(C60H60) have been inf

 

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