DFT study on the NMR chemical shifts of molecules confined in carbon nanotubes

Journal of Physical Chemistry C

Volumn 117, Issue 44, 2013, Pages 23418-23424

  Ren, Pengju ^a   Zheng, Anmin ^b   Pan, Xiulian ^a   Han, Xiuwen ^a   Bao, Xinhe ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b Wuhan National Laboratory for Optoelectronics   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL NATURE; CONFINED MOLECULES; INTERMOLECULAR INTERACTIONS; NMR CHEMICAL SHIFTS; NONBONDED INTERACTION; ORGANIC MOLECULES; POLARIZABLE MOLECULES; SHIELDING EFFECT;

CARBON NANOTUBES; CHEMICAL SHIFT; ELECTRONIC STRUCTURE; MAGNETIC SHIELDING;

MOLECULES;

EID: 84889764443     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp408729g     Document Type: Article

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