Density functional study on the functionalization of BN nanotubes with nitramide

Effects of Al Doping and Double-Antisite Defect on the Adsorption of HCN on a BC2N Nanotube: Density Functional Theory Studies

(2013) Ali Ahmadi Peyghan et al.   Journal of Physical Chemistry C

On the isomerization and dissociation of nitramide encapsulated inside an armchair (5,5) single-walled carbon nanotube

(2011) Luoxin Wang et al.   MATERIALS CHEMISTRY AND PHYSICS

Interaction of NH3 with aluminum nitride nanotube: Electrostatic vs. covalent

(2011) Ali Ahmadi et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Theoretical study on electronic structures and spectroscopic regularities of ethylated single-walled carbon nanotubes

(2011) Y. Yu et al.   Russian Journal of Physical Chemistry A

Nucleation of carbon nanotubes and their bundles at the surface of catalyst melt

(2010) N. I. Alekseev et al.   Russian Journal of Physical Chemistry A

A theoretical study of the dissociative chemisorption of hydrogen on carbon nanotubes

(2010) A. A. Kuzubov et al.   Russian Journal of Physical Chemistry A

The thermodynamic properties of fullerene hydrides C60H2n

(2010) L. S. Karpushenkava et al.   Russian Journal of Physical Chemistry A

Advanced technology for functionalization of carbon nanotubes

(2009) Lingjie Meng et al.   Progress in Natural Science-Materials International

The group III–V's semiconductor energy gaps predicted using the B3LYP hybrid functional

(2007) S. Tomić et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES