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

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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…