The influence of NH3 -attaching on the NMR parameters in the zigzag BN nanotube

Superlattices and Microstructures

Volumn 49, Issue 2, 2011, Pages 169-175

  Zahedi, Ehsan ^a   Bodaghi, Ali ^b   Seif, Ahmad ^c   Boshra, Asadollah ^c  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Ammonia attached; Boron nitride nanotube; Density functional theory; Nuclear magnetic resonance

Indexed keywords

B ATOMS; B3LYP/6-31G; BN NANOTUBE; BORON NITRIDE NANOTUBE; BORON-NITRIDE NANOTUBES; CHEMICALLY BONDED; MODEL CHEMISTRY; STABLE MODEL;

AMMONIA; ANISOTROPY; BORON; DENSITY FUNCTIONAL THEORY; NANOTUBES; NITRIDES; RESONANCE; SHIELDING;

NUCLEAR MAGNETIC RESONANCE;

EID: 79551572759     PISSN: 07496036     EISSN: 10963677     Source Type: Journal    
DOI: 10.1016/j.spmi.2010.12.003     Document Type: Article

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