List of Articles Density functional theory (DFT)

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  1 - Theoretical study of the para chlorophenol adsorption on phosphorus-doped polypyrrole with DFT
  Mozafar Rezaee Shahrbanoo Rahman setayesh
  20.1001.1.27834107.2022.12.1.1.7
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  2 - DFT studies of the hydroquinone adsorption on polypyrrole
  Mozafar Rezaee Shahrbanoo Rahman setayesh
  20.1001.1.27834107.2021.11.4.3.8
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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