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Publikováno v:
Russian Journal of Physical Chemistry A. 95:1892-1899
In this study, we reported sensitivity of (6,0), (7,0), and (8,0) boron nitride nanotubes (BNNTs) toward tabun by using DFT method at the B3LYP/6-311G(d,p) level of the theory. Adsorption energies, DOS, HOMO/LUMO energy gaps, charge transfer, dipole
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ceb0b3056cc1af2c7b226557ff6d3679
https://doi.org/10.1134/s0036024421090211
https://doi.org/10.1134/s0036024421090211
