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20192023
most citedFirst-principles study of electronic and optical properties in 1-D oligomeric derivatives of telomestatin

1 citations · 1 across the 2 of their papers we have counts for

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cond-mat.mtrl-sci2023★ 1 cited

First-principles study of electronic and optical properties in 1-D oligomeric derivatives of telomestatin

Joelle Mergola-Greef, Bruce F. Milne

Real-space self-interaction corrected (time-dependent) density functional theory has been used to investigate the ground-state electronic structure and optical absorption profiles…

cond-mat.mtrl-sci2021

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 BiC ($3 \le n \le…