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Published in 2020 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2020.112909
Abstract: Abstract We present a theoretical study on the equilibrium geometries, energetic, electronic, and magnetic characteristics of BGen (n = 1–20) clusters using the density functional theory (DFT) calculations. The most stable structures display a B atom located…
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Keywords:
bgen clusters;
theoretical study;
energy;
study physicochemical ... See more keywords