The electronic and structural responses of B12N12 nanocage toward the adsorption of some nonpolar X2 molecules: X = (Li, Be, B, N, O, F, Cl, Br, I): A DFT approach

The electronic and structural responses of B12N12 nanocage toward the adsorption of some nonpolar X2 molecules: X = (Li, Be, B, N, O, F, Cl, Br, I): A DFT approach

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1108, 15 May 2017, Pages 63-69

Aidin Bahrami, Mohammad Balooch Qarai, Nasser L. Hadipour,