Chen Z, Nagase S, Hirsch A, Haddon R, Thiel W, Schleyer P (2004)
Publication Type: Journal article, Original article
Publication year: 2004
Original Authors: Chen Z., Nagase S., Hirsch A., Haddon R.C., Thiel W., Schleyer P.V.R.
Publisher: Wiley-VCH Verlag
Book Volume: 116
Pages Range: 1578-1580
Journal Issue: 12
In contrast to earlier theoretical studies experimental expectation, full high-level (B3LYP/6-31G*) computations on various nanotube models reveal that SWCNTs with O, NH, CH, and SiH addends favor opened structures rather than three-membered rings. Furthermore, the diagonal C-C bonds in (8,0) zigzag nanotubes, rather than C-C bonds parallel to the axis, are the favorable sites for chemical modification.
APA:
Chen, Z., Nagase, S., Hirsch, A., Haddon, R., Thiel, W., & Schleyer, P. (2004). Side-Wall Opening of Single-Walled Carbon Nanotubes (SWCNTs) by Chemical Modification: A Critical Theoretical Study. Angewandte Chemie International Edition, 116(12), 1578-1580. https://doi.org/10.1002/anie.200353087
MLA:
Chen, Zhongfang, et al. "Side-Wall Opening of Single-Walled Carbon Nanotubes (SWCNTs) by Chemical Modification: A Critical Theoretical Study." Angewandte Chemie International Edition 116.12 (2004): 1578-1580.
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