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The effect of electric field on interaction of glycine with (6,0) single-walled boron nitride nanotube

DOI: 10.2298/jsc120419046f

Keywords: glycine , density functional theory , boron nitride nanotube (BNNT) , electric field

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Abstract:

The interaction between glycine molecule with (6, 0) zigzag model of single-walled boron nitride nanotube (BNNT) with H-terminated at the open ended, has been investigated in the presence and absence of the external electric field (EF), using the DFT-B3LYP/6-31G

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