Encapsulation of carbon chain molecules in single-walled carbon nanotubes

Journal of Physical Chemistry A

Volumn 115, Issue 20, 2011, Pages 5147-5156

  Kuwahara, Riichi ^a,b   Kudo, Yohei ^a   Morisato, Tsuguo ^b   Ohno, Kaoru ^a,c  

^a YOKOHAMA NATIONAL UNIVERSITY   (Japan)

^b Kasumigaseki Tokyu Building 17F   (Japan)

^c TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON CHAIN MOLECULE; CARBON-BASED; CHAIN MOLECULES; ELECTRON CHARGE TRANSFER; ENERGY GAIN; EXTERNAL FIELDS; FINITE TEMPERATURES; FIRST-PRINCIPLES DENSITY FUNCTIONAL CALCULATIONS; FUNCTIONALIZATIONS; HYDROGEN ATOMS; LINEAR CHAIN; MOLECULAR TRANSPORT; OPEN-ENDED SWNT; P-TYPE; POLYYNES; POTENTIAL SURFACES; ROTARY MOTIONS; THEORETICAL RESULT; TUBE WALLS;

CALCULATIONS; CHARGE TRANSFER; DANGLING BONDS; ELECTRIC DIPOLE MOMENTS; ELECTRIC FIELDS; HEXANE; HYDROGEN BONDS; ION EXCHANGE; MOLECULES; VACUUM;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 79959353967     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp109308w     Document Type: Article

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