@article{(Open Science Index):https://publications.waset.org/pdf/10910,
	  title     = {Density Functional Calculations of 27Al, 11B,and 14N and NQR Parameters in the (6, 0) BN_AlN Nanotube Junction},
	  author    = {Morteza Farahani and  Ahmad Seif and  Asadallah Boshra and  Hossein Aghaie},
	  country	= {},
	  institution	= {},
	  abstract     = {Density functional theory (DFT) calculations were performed to calculate aluminum-27, boron-11, and nitrogen-14 quadrupole coupling constant (CQ) in the representative considered model of (6, 0) boron nitride-aluminum nitride nanotube junction (BN-AlNNT) for the first time. To this aim, 1.3 nm length of BNAlN consisting of 18 Al, 18 B, and 36 N atoms was selected where the end atoms capped by hydrogen atoms. The calculated CQ values for optimized BN-AlNNT system reveal different electrostatic environment in the mentioned system. The calculations were performed using the Gaussian 98 package of program.
},
	    journal   = {International Journal of Chemical and Molecular Engineering},
	  volume    = {2},
	  number    = {11},
	  year      = {2008},
	  pages     = {290 - 292},
	  ee        = {https://publications.waset.org/pdf/10910},
	  url   	= {https://publications.waset.org/vol/23},
	  bibsource = {https://publications.waset.org/},
	  issn  	= {eISSN: 1307-6892},
	  publisher = {World Academy of Science, Engineering and Technology},
	  index 	= {Open Science Index 23, 2008},
	}