Journal:
:international journal of nano dimension
0
m. farahani
sama technical and vocational training collage, islamic azad university, malayer branch, malayer, iran. z. ghasemi
department of chemistry, boroujerd branch, islamic azad university, boroujerd, iran. a. seif
department of chemistry, boroujerd branch, islamic azad university, boroujerd, iran.
magnesium oxide nanotubes of finite length are investigated by the density functional theory (dft) at the b3lyp/6-31g (d) level. the (6, 0) zigzag and (4, 4) armchair of mgo nanotubes were considered and nuclear magnetic resonance properties including isotropic and anisotropic chemical shielding parameters (csi and csa) were calculated for 25mg and 17o atoms of the optimized structures for the ...
