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Published in 2017 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-017-3460-3
Abstract: AbstractThe geometrical structures, electrical properties, and nonlinear optical (NLO) properties of AlNNT–Li and BNNT–Li nanotube systems were investigated by means of the density functional theory (DFT) method. Frontier molecular orbitals and density of states analyses…
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Keywords:
study electrical;
theoretical study;
comparative theoretical;
alnnt bnnt ... See more keywords