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Start Over Topic ring formation (chemistry) Publication Type Academic Journals

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1. The nitrene cycloaddition on the sidewall of armchair single-walled carbon nanotubes

Author

Zhang, Chong, Li, Rui fang, Liang, Yunxiao, Shang, Zhenfeng, Wang, Guichang, Xing, Yumei, Pan, Yinming, Cai, Zunsheng, Zhao, Xuezhuang, and Liu, Chengbu

Subjects
*RING formation (Chemistry), *NANOTUBES, *CARBON, *PAPER
Abstract

Abstract: The calculations based on AM1 and PM3 methods suggest that the cycloaddition between the nitrene (HN:) group and (5,5) armchair single-walled carbon nanotube (ASWCNT) produces four isomers, and their thermodynamic stability can be described as follows, V-open >V-closed >S-open >S-closed. The kinetic analysis, however, suggests that the predominant forms are S-open and V-open in the mixture of HN

Published
2006
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