List of Articles DFT Calculation

• Open Access Article
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  1 - NBO analysis and theoretical thermodynamic study of (5,5) & (6,6) armchair carbon nanotubes via DFT method
  
• Open Access Article
  • Abstract Page
  • Full-Text
  
  2 - New Method for Synthesis of Zinc Metaborate Zn4B6O13 Crystals via Sol-Gel Process and Investigation of DFT Calculations
  
• Open Access Article
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  • Full-Text
  
  3 - Theoretical Study of Structural and Electronic Properties in B12N12: Exchange, correlation energy and NBO analysis