Theoretical investigation of relationship between quantum chemical descriptors-topological indices-energy and electric moments of zig-zag polyhex carbon nanotubes TUHC6 [2p,q] with various circumference [2p] and fixed lengths

Fullerenes Nanotubes and Carbon Nanostructures

Volumn 21, Issue 2, 2013, Pages 102-112

  Goodarzi, Mohammad ^a,b   Mohammadinasab, Esmat ^a  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Nanotubes topological indices electric moment DFT method

Indexed keywords

ATOMIC CHARGE; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT METHOD; ELECTRIC MOMENTS; GAUSSIAN 98; NANOTUBES-TOPOLOGICAL INDICES-ELECTRIC MOMENT-DFT METHOD; PACKAGE OF PROGRAMS; POLYHEX; QUANTUM CHEMICAL; QUANTUM CHEMICAL DESCRIPTORS; STANDARD BASIS; STRONG CORRELATION; THEORETICAL INVESTIGATIONS; TOPOLOGICAL INDEX; ZIG-ZAG;

CARBON NANOTUBES; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; QUANTUM CHEMISTRY;

TOPOLOGY;

EID: 84867204395     PISSN: 1536383X     EISSN: 15364046     Source Type: Journal    
DOI: 10.1080/1536383X.2011.579668     Document Type: Article

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