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Published in 2020 at "RSC Advances"
DOI: 10.1039/d0ra06007k
Abstract: We present electronic structure calculations based on a single-parameter plane wave expansion method for molecular nanostructures revealing excellent agreement with density functional theory and predicting metallic bands for chevron molecular dimers.
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Keywords:
bands chevron;
type polyacenes;
chevron type;
metallic bands ... See more keywords