International Journal of Bio-Inorganic Hybrid Nanomaterials

Keywords = density functional theory

Number of Articles: 7

1		Theoretical study of the interaction of harmful heroin molecule with N-doped TiO2 anatase nanoparticles
	Volume 6, Issue 3, Autumn 2017, Page 165-175

	View Article \| PDF 2.04 MB

2		NH3 sensors based on novel TiO2/MoS2 nanocomposites: Insights from density functional theory calculations
	Volume 5, Issue 2, Summer 2016, Page 105-113

	View Article \| PDF 1.35 MB

3		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, Spring 2016, Page 43-52

	View Article \| PDF 1.04 MB

4		TiO2/Graphene oxide nanocomposite as an ideal NO gas sensor: A density functional theory study
	Volume 5, Issue 4, Winter 2016, Page 245-255

	View Article \| PDF 3.2 MB

5		Electronic Structure Investigation of Octahedral Complex and Nano ring by NBO Analysis: An EPR Study
	Volume 4, Issue 2, Summer 2015, Page 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, Spring 2015, Page 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, Spring 2014, Page 49-55

	View Article \| PDF 528.66 K

International Journal of Bio-Inorganic Hybrid Nanomaterials (IJBIHN) - Articles List