1. Theoretical study of the interaction of harmful heroin molecule with N-doped TiO2 anatase nanoparticles

Volume 6, Issue 3, July 2017, Pages 165-175

• View Article
• PDF 2.04 MB

2. TiO2/Graphene oxide nanocomposite as an ideal NO gas sensor: A density functional theory study

Volume 5, Issue 4, October 2016, Pages 245-255

• View Article
• PDF 3.2 MB

3. NH3 sensors based on novel TiO2/MoS2 nanocomposites: Insights from density functional theory calculations

Volume 5, Issue 2, April 2016, Pages 105-113

• View Article
• PDF 1.35 MB

4. Structural and electronic properties of N-doped TiO2 anatase nanoparticles and their effects on the adsorption of Hydrazine (N2H4) molecule: A first-principles study

Volume 5, Issue 1, January 2016, Pages 43-52

• View Article
• PDF 1.04 MB

5. Electronic Structure Investigation of Octahedral Complex and Nano ring by NBO Analysis: An EPR Study

Volume 4, Issue 2, April 2015, Pages 93-100

M. Khaleghian; F. Azarakhshi; G.R. Ghshami

• View Article
• PDF 194.27 K

6. A Theoretical Study of H2S and CO2 Interaction with the Single-Walled Nitrogen Doped Carbon Nanotubes

Volume 4, Issue 1, January 2015, Pages 39-48

M. Oftadeh; M. Rezaeisadat; A. Rashidi

• View Article
• PDF 615.33 K

7. Investigating Stability and Solubility Properties of Cyclophosphamide-Functionalized (8,0) and (4,4) CNT Complexes in Water: Computational Studies

Volume 3, Issue 1, January 2014, Pages 49-55

• View Article
• PDF 528.66 K