List of Articles QTAIM

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  1 - 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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  2 - 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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  3 - 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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  4 - 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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  5 - 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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  6 - 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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  7 - Inductive Effect of Bioactive Intermolecular Hydrogen Bonding Complex of 1,2,4,5 –Tetrazine and Inorganic Acid by NMR and QTAIM
  Mohammad Hossein Ghorbani Arash Ghoorchian
• Open Access Article
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  8 - Theoretical investigation of β-turn structures of serine-alanine protected dipeptide using quantum calculations
  Behzad Chahkandi
• Open Access Article
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  9 - The electron density analysis of Cr(CO)3L complexes (L=benzene and graphyne)
  Reza Ghiasi E Ardestanij J Motameni Tabatabai
  10.22034/jna.2019.582844.1128
• Open Access Article
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  10 - Solvent influence on the interaction of cis-PtCl2(NH3)2 complex and graphene: A theoretical study
  Elham Ebrahimi Mokarram Reza Fazaeli Hossein Aghaei Mohammad Yousefi Karim Zare
  10.22034/jna.2019.664400
• Open Access Article
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  11 - The electron density analysis of Cr(CO)3L complexes (L=benzene and graphyne)
  Elham Ardestani Reza Ghiasi Javad Motameni Tabatabai
  10.22034/jna.2019.668027
• Open Access Article
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  12 - Dynamical distance as a semi-metric on nuclear configuration space
  M. Rahimi