List of Articles AIM

• Open Access Article
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  1 - The interaction of 5-Flucytosine drug with pristine and (n=1,2,3)H+ ions functionalized B12N12 nanocage: A DFT, TD-DFT, NLO and AIM study
  Mahdi Rezaei Sameti Samira Dosti Tapgombadi
  10.30495/jptc.2021.20866
• Open Access Article
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  2 - A conceptual framework chemistry of Hydrated Cations: Part I. Preliminary Ab Initio and QTAIM calculations on [Li(H20)nr (n=1,2,3).
  Jamshid Najafpour Gholam Hossein Shafiee Abdolreza Sadjadi Shant Shahbazian
• Open Access Article
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  3 - Topological Analysis of Theoretical Charge Density of Alkali Metal Cations (LC, Na+, le)ICrown Ether (18e6) Complexes
  J. Narafpour A. Sadjadi
• Open Access Article
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  4 - Decontamination of DMMP by adsorption on ZnO, A Computational Study
  F. R. Nikmaram J. Najafpour M. Ashrafi Shahri
• Open Access Article
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  5 - Topological Analysis and Quantum Mechanical Structure of C4 and C5 Pure Carbon Clusters
  Gholam Hossein Shafiee Jamshid Najafpour Seyed Abdolreza Sadjadi
• Open Access Article
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  6 - QTAIM study of Bonding and Structure of Pure Atomic Clusters,Part III : Nn Clusters (n= 4,6)
  Seyed Abdolreza Sadjadi Gholam Hossein Shafiee Amin Ebadi
• Open Access Article
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  7 - X-ray Charge-Dens Study of 5-Chloro-8-hydroxy-6-methyloaphthalene-l.4-dione: A Hydroxynaphthoquinone Derivative
  Zahra Sharafi
• Open Access Article
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  8 - Electronic Properties of Hydrogen Adsorption on the Silicon- Substituted C20 Fullerenes: A Density Functional Theory Calculations
  F. R. Nikmaram Jamshid Najafpour
• Open Access Article
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  9 - A theoretical study on halogen-π interactions: X-C2-Y…C8H8 complexes
  Pouya Karimi