List of Articles NBO

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  1 - Theoretical investigation of encapsulation of the two azomethine derivatives into BN(6,6-8) nanotube: a DFT study
  
• Open Access Article
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  2 - NBO analysis and theoretical thermodynamic study of (5,5) & (6,6) armchair carbon nanotubes via DFT method
  
• Open Access Article
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  3 - Quantum mechanical study of electronic and structural properties of methyl benzoate in interaction with boron nitride (BN) nanotube
  
• Open Access Article
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  4 - Theoretical Study of Structural and Electronic Properties in B12N12: Exchange, correlation energy and NBO analysis
  
• Open Access Article
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  5 - Electronic Structure Investigation of Octahedral Complex and Nano ring by NBO Analysis: An EPR Study
  M. Khaleghian F. Azarakhshi G.R. Ghshami
• Open Access Article
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  6 - DFT and NBO analysis on conformers of dioxaphosphinane derivatives
  
• Open Access Article
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  7 - Theoretical Study of stereoelectronic effects of Boron Nitride Nanotubes in interaction with 7-hydroxy phenothiyazine 3-one sulphure dye by electron density functional theory
  
• Open Access Article
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  8 - Density functional theory study of adsorption of acid red 33 Dye on the single-walled BN nanotubes
  
• Open Access Article
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  9 - Quantum mechanical investigation of 4-hydroxy phenyl azobenzene adsorption on the boron nitride nanotubes
  
• Open Access Article
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  10 - Investigation of non-bonded interaction between C10H8 and B12N12 nano ring: NBO and NMR studies
  
• Open Access Article
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  11 - Quantum mechanical study of electronic and structural properties of methyl benzoate in interaction with boron nitride (BN) nanotube
  
• Open Access Article
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  12 - Ab initio Study and NBO Analysis of Conformational Properties of 2-Substituted Cyclohexane-1,3-diones and its Analogues Containing S and Se Atoms
  
• Open Access Article
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  13 - Theoretical study of interaction of 4-amino phenyl-azobenzene with (SWCNTs), A DFT method