1. Computational study of the fullerene effects on the properties of 16 different drugs: A review

Volume 9, Issue 4, Autumn 2018, Pages 325-335

Roya Ahmadi; Mohammad Reza Jalali Sarvestani; Babak Sadeghi

• View Article
• PDF 1.05 MB

2. Structural and electronic properties of CO molecule adsorbed on the TiO2 supported Au overlayers: Insights from density functional theory computations

Volume 8, Issue 4, Autumn 2017, Pages 329-340

Amirali Abbasi; Jaber Jahanbin Sardroodi

• View Article
• PDF 1.45 MB

3. Study of thermodynamic parameters of (TATB) and its fullerene derivatives with different number of Carbon (C20, C24, C60), in different conditions of temperature, using density functional theory

Volume 8, Issue 3, Summer 2017, Pages 250-256

Roya Ahmadi

• View Article
• PDF 805.35 K

4. Density functional explorations of quadrupole coupling constants for BN, BP, AlN, and AlP graphene–like structures

Volume 7, Issue 4, Autumn 2016, Pages 284-289

10.7508/ijnd.2016.04.003

Mahmoud Mirzaei; Rahman Salamat Ahangari

• View Article
• PDF 536.35 K

5. A theoretical study on the adsorption behaviors of Ammonia molecule on N-doped TiO2 anatase nanoparticles: Applications to gas sensor devices

Volume 7, Issue 4, Autumn 2016, Pages 349-359

10.7508/ijnd.2016.04.010

Amirali Abbasi; Jaber Jahanbin Sardroodi

• View Article
• PDF 1002.92 K

6. Structure and electronic properties of single–walled zigzag BN and B3C2N3 nanotubes using first-principles methods

Volume 6, Issue 2, Spring 2015, Pages 157-165

10.7508/ijnd.2015.02.006

N. Bahrami Panah; R. Vaziri

• View Article
• PDF 756.05 K

7. The usage comparison of occupancy parameters, gap band energy, ΔNmax at Xylometazoline medicine ratio its medical conveyer nano

Volume 6, Issue 1, Winter 2015, Pages 19-22

10.7508/ijnd.2015.06.003

R. Ahmadi; T. Boroushaki; M. Ezzati

• View Article
• PDF 526.53 K

8. Density functional theory study of the adsorption of NO2 molecule on Nitrogen-doped TiO2 anatase nanoparticles

Volume 6, Issue 1, Winter 2015, Pages 11-17

10.7508/ijnd.2015.06.002

A. Rastkar Ebrahimzadeh; M. Abbasi; J. Jahanbin Sardroodi; S. Afshari

• View Article
• PDF 707.93 K

9. A DFT study of NMR parameters for MgO nanotubes

Volume 4, Issue 1, Summer 2013, Pages 1-6

10.7508/ijnd.2013.01.001

M. Farahani; Z. Ghasemi; A. Seif

• View Article
• PDF 371.63 K

10. Computational studies of planar, tubular and conical forms of silicon nanostructures

Volume 1, Issue 4, Spring 2011, Pages 257-260

10.7508/ijnd.2010.04.002

S. Rahimnejad; M. Mirzaei

• View Article
• PDF 182.73 K