List of Articles density functional theory (DFT)

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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 - Green Solvent-Free Microwave Synthesis, Spectroscopic and Computational (DFT) Characterization, and Molecular Docking of the Bis-Schiff Base Derived from Hexamethylenediamine and Benzaldehyde
  Vahideh Hadigheh-rezvan
  https://doi.org/10.82437/jcrs.2024.1212396
• Open Access Article
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  4 - Theoretical study of drug delivery through drug adsorption on nanocarriers using density functional theory (DFT) method
  Neda Hasanzadeh Susan  Zobeydi
  https://doi.org/10.82437/jcrs.2024.1216680