List of Articles Natural Bond Orbital

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  1 - A Computational Study on 3-Picrylamino-1,2,4-triazole Adsorption on the Surface of Carbon Nanocone
  Mohammad Reza Jalali Sarvestani Roya Ahmadi
• Open Access Article
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  2 - A Computational Study on Lomustine Adsorption on the Surface of Graphene Quantum Dots
  Mohammad Reza Jalali Sarvestani Roya Ahmadi
• Open Access Article
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  3 - Structural and electronical studies of asymmetric tetradentate Schiff base ligands and their Ni(II) and Cu(II) complexes using density functional theory
  Nooshin  Keshtkar Alison Zamanpour Sheida Esmaielzadeh
• Open Access Article
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  4 - Quantum Mechanics Simulation of the Pseudo Nucleotide Anticancer Drug Cytarabine with (5, 5) and (8, 8) Functionalized Carbon Nanotubes in a Targeted Drug Delivery System
  Fatemeh Moosavi Neda Hasanzadeh Hooriye Yahyaei Ayeh Rayatzadeh