List of Articles Molecular 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 - 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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  4 - Hybrid-DFT study and NBO interpretations of conformational behaviors of 2-methoxy-1,2,4,5-tetrahydro-benzo[d]oxepine, -thiepine and -selenepine
  Davood Nori-Shargh Sogand Sarikhani Hooriye Yahyaei Seiedeh Negar Mousavi Nasrin Masnabadi
• Open Access Article
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  5 - Conformational behaviors of trans-2,3-bis(methylthio)-1,4-dioxane, -dithiane and –diselenane. A hybrid-DFT study and NBO interpretations
  Davood Nori-Shargh Zahra Mahmoodi Nasrin Masnabadi Hooriye Yahyaei Seiedeh Negar Mousavi
• Open Access Article
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  6 - New Imidazo[4,5-a] Acridine: Synthesis and Studying the Molecular Dynamics Simulation of Its Interaction with the Topoisomerase Enzyme
  Maryam Toosi Mehdi Pordel Mohammad Reza Bozorgmehr
  10.22034/jchr.2023.1984058.1724