List of Articles density functional theory

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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 - Calculation the thermodynamic parameters of some imidazolidin-2,5-diones by using DFT method
  Farideh Khatib Asadollah Farhadi
  20.1001.1.27834107.2022.12.2.1.9
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  3 - Quantum chemistry study on the regioselective behavior of 1,3-dipolar cycloaddition reaction of azides with various substituted cyclooctynes
  Marzieh Omrani Tayebeh Hosseinnejad
  20.1001.1.27834107.2020.10.4.2.0
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  4 - DFT studies of the hydroquinone adsorption on polypyrrole
  Mozafar Rezaee Shahrbanoo Rahman setayesh
  20.1001.1.27834107.2021.11.4.3.8