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Toward uniform nanotubular compounds: Synthetic approach and ab initio calculations

Miller, Glen P. and Okano, Shinya and Tomanek, David (2006) Toward uniform nanotubular compounds: Synthetic approach and ab initio calculations. Journal of Chemical Physics 124, p. 121102.

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Other URL: http://dx.doi.org/10.1063/1.2187968


We propose to synthesize a new class of single-walled nanotubular compounds (SWNCs) and investigate the interplay between their structural and electronic properties using ab initio density functional calculations. SWNCs are composed of cyclacenes of variable diameter interconnected by various linker compounds. Cyclacenes map directly onto and can be viewed as the shortest segments of (n,0) zigzag ...


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Item Type:Article
Institutions:Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Klaus Richter
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Dewey Decimal Classification:500 Science > 530 Physics
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Deposited On:20 Mar 2007
Last Modified:13 Mar 2014 10:04
Item ID:1777
Owner Only: item control page


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