DFT calculations of structures, 13C NMR chemical shifts, and Raman RBM mode of simple models of small-diameter zigzag (4,0) carboxylated single-walled carbon nanotubes

2012 ◽  
Vol 50 (2) ◽  
pp. 142-151 ◽  
Author(s):  
Teobald Kupka ◽  
Elżbieta Chełmecka ◽  
Karol Pasterny ◽  
Michał Stachów ◽  
Leszek Stobiński
Keyword(s):  
Carbon Nanotubes ◽  
Dft Calculations ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Small Diameter ◽  
Single Walled Carbon Nanotubes ◽  
Nmr Chemical Shifts ◽  
Single Walled Carbon ◽  
13C Nmr Chemical Shifts ◽  
Walled Carbon Nanotubes

Unraveling the 13C NMR Chemical Shifts in Single-Walled Carbon Nanotubes: Dependence on Diameter and Electronic Structure

2012 ◽  
Vol 134 (10) ◽  
pp. 4850-4856 ◽  
Author(s):  
Chaiwat Engtrakul ◽  
Veronica M. Irurzun ◽  
Erica L. Gjersing ◽  
Josh M. Holt ◽  
Brian A. Larsen ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Structure ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Single Walled Carbon Nanotubes ◽  
Nmr Chemical Shifts ◽  
Single Walled Carbon ◽  
13C Nmr Chemical Shifts ◽  
Walled Carbon Nanotubes

DFT study of zigzag (n, 0) single-walled carbon nanotubes: 13C NMR chemical shifts

2016 ◽  
Vol 67 ◽  
pp. 14-19 ◽  
Author(s):  
Teobald Kupka ◽  
Michal Stachów ◽  
Leszek Stobiński ◽  
Jakub Kaminský
Keyword(s):  
Carbon Nanotubes ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Single Walled Carbon Nanotubes ◽  
Dft Study ◽  
Nmr Chemical Shifts ◽  
Single Walled Carbon ◽  
13C Nmr Chemical Shifts ◽  
Walled Carbon Nanotubes

DFT calculations of structures, 13C NMR chemical shifts and Raman RBM mode of simple models of ultra small diameter (4,0) zigzag hydroxylated single wall carbon nanotubes

2012 ◽  
Vol 162 (7-8) ◽  
pp. 573-583 ◽  
Author(s):  
Teobald Kupka ◽  
Michał Stachów ◽  
Elżbieta Chełmecka ◽  
Karol Pasterny ◽  
Leszek Stobiński
Keyword(s):  
Carbon Nanotubes ◽  
Dft Calculations ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Small Diameter ◽  
Single Wall Carbon Nanotubes ◽  
Single Wall Carbon ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts ◽  
Simple Models

Theoretical studies on structures, 13C NMR chemical shifts, aromaticity, and chemical reactivity of finite-length open-ended armchair single-walled carbon nanotubes

Nanoscale ◽  
2010 ◽  
Vol 2 (2) ◽  
pp. 254-261 ◽  
Author(s):  
Lei Vincent Liu ◽  
Wei Quan Tian ◽  
Ya Kun Chen ◽  
Yu Adam Zhang ◽  
Yan Alexander Wang
Keyword(s):  
Carbon Nanotubes ◽  
Finite Length ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Chemical Reactivity ◽  
Single Walled Carbon Nanotubes ◽  
Theoretical Studies ◽  
Single Walled Carbon ◽  
13C Nmr Chemical Shifts ◽  
Walled Carbon Nanotubes
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