The isomerization mechanism of X<ASWCNT (X=CH 2 and SiH 2)

Based on AM1 calculations, we found that the isomerization among the four isomers of (5,5) CH 2

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Bibliographic Details
Published in:Journal of molecular structure. Theochem 2004-07, Vol.681 (1), p.225-230
Main Authors: Zhang, Chong, Li, Ruifang, Shang, Zhenfeng, Li, Jianrong, Xing, Yumei, Pan, Yinming, Cai, Zunsheng, Zhao, Xuezhuang
Format: Article
Language:English
Subjects:
Armchair single-walled carbon nanotubes (ASWCNTs)
Dihydrocarbene
Isomerization
Silylene
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Summary:Based on AM1 calculations, we found that the isomerization among the four isomers of (5,5) CH 2
ISSN:0166-1280
1872-7999
DOI:10.1016/j.theochem.2004.05.025