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Published in 2021 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2021.113177
Abstract: Abstract Due to wide applications in optoelectronic field, carbon-boron-nitride materials have attracted considerable interest from scientists. In the present work, the structures and first hyperpolarizility (βtot) of three closed shell isoelectronic structures BNC-n (n = 1–3) were…
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Keywords:
carbon boron;
carbon;
boron nitride;
carbon segment ... See more keywords