List of Articles HOMO

• Open Access Article
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  1 - The Interaction between Dopamine and Carbon Nanotube: A DFT and NBO Approach
  M. Hesabi
• Open Access Article
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  2 - A Theoretical Study on Interaction between Nitrobenzene and Carbon Nanotube (A DFT approach)
  N. Malmir B. Naderi F. Naderi
• Open Access Article
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  3 - Theoretical Study of electronic Structure of [CoF6]3" Complex embedded in Nano-Ring
  Mehrnoosh Khaleghian Majid Monajjemi
• Open Access Article
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  4 - DFT Study and Comparison between B6C4Si and C16 Clusters as a Vitamin C Carrier
  T. Ardalan M. Monajjemi H. Aghaie P. Ardalan
• Open Access Article
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  5 - Theoretical study of 2,3,7,8-tetrachlorodibenzo-para-dioxine removal by boron nitride-nanotube (BNNT): QSAR, IR-DFT
  L. Mahdavian
• Open Access Article
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  6 - Synthesis, Identification and Calculation of Complex Crystallographic Structure of Cobalt (II) with theLigand Heterocyclic Derived from Pyridine
  Mohammad Mahdi Akbarzadeh Khirollah Mehrani Shahriar Ghammamy Vahideh Hadigheh Rezvan
• Open Access Article
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  7 - IR spectroscopic study and DFT calculations on dibenzyltin dichloride
  Leile Rahimi Ahar Moayad Hossaini Sadr Karim Zare Samad Motameni Tabatabei
• Open Access Article
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  8 - A Study on the Electronic and Structural Properties of C12X8 (X = C, B) and Their Interaction with Glycine with Potentially Drug Delivery Vessels
  F. Naderi H. Hajizadeh H. Masoomi A. R. Salehi
• Open Access Article
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  9 - The influence of Tyrozine on energetic property in Graphene Oxide: A DFT studies
  Roya Ahmadi Reza Soleymani
• Open Access Article
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  10 - Theoretical thermodynamic study of CO and O2 Adsorption on Au14 Nano Cluster
  Somayyeh Ghasemlou H. Aghaie
• Open Access Article
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  11 - Investigation of nuclear magnetic resonance (NMR) and Binding Energies Clonidine Drug-Carbon Nano Tube: A Theoretical Study
  Z. Yousefian
• Open Access Article
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  12 - FT-IR and NMR Spectroscopic Investigation and Hybrid Computational DFT/HF Analysis on the Molecular Structure of NSPD
  Mohammad Mahdi Akbarzadeh Khirollah Mehrani Shahriar Ghammamy Vahideh Hadigheh Rezvan