Keywords = DFT
Number of Articles: 18
2. Investigation of Nickle nanoclusters properties by density functional theory

Volume 5, Issue 4, Autumn 2018, Pages 600-609

10.22034/ijnc.2018.34120

Aram Ghaempanah; Darioush Sharafie


4. Theoretical study of chemical properties of Fulleromethyldopa and derivatives

Volume 5, Issue 1, Winter 2018, Pages 442-448

Mandana Pirahan Foroush; Laleh Alah Karam


8. The effect of Glutamine on conductivity and energetic properties in Graphene: A DFT studies

Volume 1, Issue 4, Autumn 2014, Pages 166-171

Roya Ahmadi; Elaheh Sadat Mirkamali


9. Methyl acetylene detection by BN nanotube: DFT studies

Volume 1, Issue 3, Summer 2014, Pages 97-107

Maziar Noei; Fatemeh Meshkinnejad; Ali Moalla


10. Hydroquinone detection by BN nanotube: DFT studies

Volume 1, Issue 3, Summer 2014, Pages 115-125

Maziar Noei; Fereshteh Zolfaghari; Ali Akbar Salari


11. Pyrrole detection by BeO nanotube: DFT studies

Volume 1, Issue 3, Summer 2014, Pages 134-144

Ali Akbar Salari; Maryam Ebrahimikia; Nastaran Ahmadaghaei; Behnaz Dehdari; Maziar Noei


12. Ethyl acetylene adsorption on the surface of a BN nanotube: A Computational study

Volume 1, Issue 2, Spring 2014, Pages 51-59

Maziar Noei; Ali Moalla; Fatemeh Meshkinnezhad


13. ADSORPTION OF PYRIDINE BY USING BeO NANOTUBE: A DFT STUDY

Volume 1, Issue 2, Spring 2014, Pages 77-84

Ali Akbar Salari; Maryam Ebrahimikia; Nastaran Ahmadaghaei; Masoumeh Kalhor; Maziar Noei


14. Pyrrole adsorption on the surface of a BN nanotube: A Computational study

Volume 1, Issue 2, Spring 2014, Pages 68-76

Maziar Noei; Asal Haji Jafargholi; Ali Akbar Salari


15. Theoretical insight of substituent effect in para substituted Fe(CO)4–pyridine complexes

Volume 1, Issue 2, Spring 2014, Pages 85-96

R Ghiasi; M Daghighi Asl; S Azmayesh; P Makkipour


16. Aniline adsorption on the surface of a BN nanotube: A Computational study

Volume 1, Issue 1, Winter 2014, Pages 1-9

Maziar Noei; Shima Ebadola; Ali Akbar Salari


17. First Princiles Study of the Electron Transport Properties of Buthane-dithiol Nano-Molecular Wire

Volume 1, Issue 1, Winter 2014, Pages 10-21

Roya Ahmadi; Masoud Darvish Ganji


18. Adsorption of ethanol by using BN nanotube: a DFT study

Volume 1, Issue 1, Winter 2014, Pages 22-29

Maziar Noei; Mojgan Ghaemizadeh