First-principles characterisation of spectroscopic and bonding properties of cationic bismuth carbide clusters

Diogo A. F. Almeida, Micael J. T. Oliveira, Bruce F. Milne

Vibrational and electronic absorption spectra calculated at the (time-dependent) density functional theory level for the bismuth carbide clusters Bi${}_n$C${}_{2n}$${}^{+}$ ($3 \le n \le…