List of Articles ensity functional theory

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  1 - Highly Sensitive Detection of H2S Molecules Using a TiO2-Supported Au Overlayer Based Nanosensors: A Van Der Waals Corrected DFT Study
  Amirali Abbasi Jaber Jahanbin Sardroodi
  10.22034/jna.2017.02.010
• Open Access Article
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  2 - Effect of Li doping on the structural, electronic and magnetic properties of Mn(N, As)
  Monir Kamalian Abdus Salam Sepahi Zeinab Moradi
  10.22034/jna.2020.1912784.1235
• Open Access Article
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  3 - Exploration of the adsorption of caffein molecule on the TiO2 nanostructures: A density functional theory study
  Amirali Abbasi Jaber Jahanbin Sardroodi
  10.22034/jna.2018.561204.1072
• Open Access Article
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  4 - Adsorption of Vitamin C on a Fullerene Surface: DFT Studies
  Rezvan Baniasadi Kun Harismah Maryam Sadeghi Mahmoud Mirzaei
  10.22034/jna.2017.01.001
• Open Access Article
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  5 - Adsorption Behaviors of Curcumin on N-doped TiO2 Anatase Nanoparticles: Density Functional Theory Calculations
  Amirali Abbasi Jaber Jahanbin Sardroodi
  10.22034/jna.2017.01.010
• Open Access Article
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  6 - Exploration of the adsorption of caffeine molecule on the TiO2 nanostructures: A density functional theory study
  Amirali Abbasi
  10.22034/jna.2018.545581
• Open Access Article
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  7 - Effect of Li doping on the structural, electronic, and magnetic properties of Mn(N, As)
  Monir Kamalian Abdus Salam Sepahi Zeinab Moradi
  10.22034/jna.2021.690108