A density functional study of the 13C NMR chemical shifts in fluorinated single-walled carbon nanotubes

Journal of Physical Chemistry A

Volumn 113, Issue 16, 2009, Pages 4117-4124

  Zurek, Eva ^a   Pickard, Chris J ^b   Autschbach, Jochen ^c  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b UNIVERSITY OF ST ANDREWS   (United Kingdom)

^c UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

13C NMR; A-DENSITY; AUGMENTED PLANE WAVES; BULK SAMPLES; DEGREE OF FUNCTIONALIZATION; DENSITY-FUNCTIONAL METHODS; EXPERIMENTAL VALUES; FUNCTIONALIZATION; FUNCTIONALIZATION PATTERN; NANOTUBE RADII; NMR CHEMICAL SHIFTS; NMR SIGNALS;

CHEMICAL SHIFT; ELECTRONIC STRUCTURE; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SINGLE-WALLED CARBON NANOTUBES (SWCN);

CARBON NANOTUBES;

EID: 65649111688     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp810523x     Document Type: Article

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