List of Articles Density functional theory (DFT)

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  1 - Theoretical Study of stereoelectronic effects of Boron Nitride Nanotubes in interaction with 7-hydroxy phenothiyazine 3-one sulphure dye by electron density functional theory
  
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  2 - Theoretical study of reduced benzopyran to CO2 by rTiO2-NP
  
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  3 - Density functional theory study of adsorption of acid red 33 Dye on the single-walled BN nanotubes
  
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  4 - Quantum mechanical investigation of 4-hydroxy phenyl azobenzene adsorption on the boron nitride nanotubes
  
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  5 - Investigation of fullerene (C60) effects on chemical properties of Metoprolol: A DFT study