List of Articles Modeling

• Open Access Article
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  1 - Computational Design and Synthesis of Molecular Imprinted Polymers for solid-phase Extraction of Acyclovir
  gholamali haghdoost
  10.30495/jptc.2023.70690.1246
• Open Access Article
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  2 - Theoretical Study of Exo-Endo Interconversion of [(R)Ca1ixTMS2]Sn
  Avat (Arman) Taherpour
• Open Access Article
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  3 - Ab initio Study of Simple Mg-Ene Reactions of Propenyl Magnesium Halides and Ethylene (Type-I Intermolecular Reaction)
  Elahe Rajaeian Avat (Arman) Taherpour
• Open Access Article
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  4 - Response of semi-empirical and AB initio methods to angle strain and conjugation effects in (Z,Z,Z)-Cycloocta-1,3,5-triene
  Issa Yavari Hassan Kabiri-Fard
• Open Access Article
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  5 - A model for modified electrode with carbon nanotube composites using percolation theory in fractal space
  H. Baheri H. Aghaie
• Open Access Article
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  6 - Modeling Investigation of Dielectric Constant Effect on NMR and IR Properties of C48 as a Single Walled Carbon Nanotube
  S. M. Sadat Choobeh F. Mollaamin
• Open Access Article
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  7 - Solvent Effect Study on the Stability Energies of Glycine, Alanine and Valine Amino Acides
  F. Keshavarz Rezaei A. Taherpour M. Aghaie