First-principles characterisation of spectroscopic and bonding properties of cationic bismuth carbide clusters
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DOI: 10.1016/j.comptc.2021.113372
Abstract: Abstract Vibrational and electronic absorption spectra calculated at the (time-dependent) density functional theory level for the bismuth carbide clusters Bi n C 2 n + ( 3 ⩽ n ⩽ 9 ) indicate significant differences… read more here.
Keywords: carbide clusters; first principles; characterisation spectroscopic; principles characterisation ... See more keywords