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Diameters of single-walled carbon nanotubes (SWCNTs) and related nanochemistry and nanobiology

✍ Scribed by Ma, Jie ;Wang, Jian-Nong ;Tsai, Chung-Jung ;Nussinov, Ruth ;Ma, Buyong

Book ID: 107476352
Publisher: Higher Education Press and Springer
Year: 2009
Tongue: English
Weight: 512 KB
Volume: 4
Category: Article
ISSN: 1673-7377
DOI: 10.1007/s11706-010-0001-8

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## Abstract Linearly conjugated benzene rings (acenes), belt‐shape molecules (cyclic acenes) and model single wall carbon nanotubes (SWCNTs) were fully optimized at the unrestricted level of density functional theory (UB3LYP/6‐31G\*). The models of SWCNTs were selected to get some insight into the