Journal of the Serbian Chemical Society 2013 Volume 78, Issue 1, Pages: 75-83
https://doi.org/10.2298/JSC120419046F
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The effect of electric field on interaction of glycine with (6,0) single-walled boron nitride nanotube
Farmanzadeh Davood (Faculty of Chemistry, University of Mazandaran, Babolsar, I.R. Iran)
Ghazanfary Samereh (Faculty of Chemistry, University of Mazandaran, Babolsar, I.R. Iran)
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
Keywords: glycine, density functional theory, boron nitride nanotube (BNNT), electric field