List of Articles Density functional theory (DFT)

• Open Access Article
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  1 - Molecular Docking and DFT Study On the Interaction Between Quercetin on surface B12N12 Fullerene
  Mohammad Taghi Baei
• Open Access Article
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  2 - Investigating the adsorption and antioxidant properties of Gallic acid on surface the B12N12 fullerene using quantum mechanical DFT and Molecular Docking
  Mohammad Taghi Baei khadijeh tavakoli hafshejani
• Open Access Article
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  3 - First-principles study of optical aspects of Penta-graphene and T-Carbon under external stress and hydrostatic pressure
  Hamidreza Alborznia